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2,3,4,8B-TETRAHYDRO-1AH-1-OXA-BENZO[A]CYCLOPROPA[C]CYCLOHEPTENE Structure moléculaire

2,3,4,8B-TETRAHYDRO-1AH-1-OXA-BENZO[A]CYCLOPROPA[C]CYCLOHEPTENE Structure moléculaire

2,3,4,8B-TETRAHYDRO-1AH-1-OXA-BENZO[A]CYCLOPROPA[C]CYCLOHEPTENE

: Nom de l'IUPAC：3-oxatricyclo[6.4.0.02,4]dodeca-1(12),8,10-triene; Numéro CAS: 4443-71-4; Masse moléculaire：160.21238

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1. nom et identifiant

: 1.1 Nom du produit; 2,3,4,8B-TETRAHYDRO-1AH-1-OXA-BENZO[A]CYCLOPROPA[C]CYCLOHEPTENE; 1.2 synonymes; 2,3,4,8B-TETRAHYDRO-1AH-1-OXA-BENZO[A]CYCLOPROPA[C]CYCLOHEPTENE

1.3 Numéro CAS: 4443-71-4

1.4 CID: 10898986

1.5 Formule moléculaire: C11H12O (isomer)

1.6 Inchi: InChI=1S/C11H12O/c1-2-6-9-8(4-1)5-3-7-10-11(9)12-10/h1-2,4,6,10-11H,3,5,7H2

1.7 InchiKey: OHWMCUHFWPORRH-UHFFFAOYSA-N

1.8 Canonique SMILES: C1CC2C(O2)C3=CC=CC=C3C1

1.9 Isomérique SMILES: C1CC2C(O2)C3=CC=CC=C3C1

2. Propriétés

2.1 Densité: 1.114±0.06 g/cm3(Predicted)

2.2 Point d'ébullition: 70-72 °C(Press: 0.2 Torr)

2.3 Indice de réfraction: 1.572 (Predicted)

2.4 Point d'éclair: 112.0±14.9 °C (Predicted)

2.5 PSA: 12.53000

2.6 logP: 2.46280

3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

4. données chimiques calculées

Masse moléculaire: 160.21238g/mol
Formule moléculaire: C₁₁H₁₂O
Compound Is Canonicalized: True
XLogP3-AA: 2.2
Exact Mass: 160.088815002
Monoisotopic Mass: 160.088815002
Complexity: 178
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 1
Topological Polar Surface Area: 12.5
Heavy Atom Count: 12
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 2
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccBwIAAAAAAAAAAAAAAAEgAAAAAAAAAwAAAABgASAAABAAAAGgAAAAAADBSgmAIwAIAABACAAiBCAAACAAAgAAAIiAAACIgIJiKAMRiCMAAkwAEIqAeAwPAOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA==

5. Fournisseurs recommandés

Global1FournisseursVoir tous >>

Zannan Pharma, Ltd.

Tel:86-21-5442-6233

2,3,4,8B-TETRAHYDRO-1AH-1-OXA-BENZO[A]CYCLOPROPA[C]CYCLOHEPTENE

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2019/11/25

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6. informations réelles sur le produit

6-METHOXY-2,3,4,8B-TETRAHYDRO-1AH-1-OXA-BENZO[A]CYCLOPROPA[C]CYCLOHEPTENE

120316-39-4 6-METHOXY-2,3,4,8B-TETRAHYDRO-1AH-1-OXA-BENZO[A]CYCLOPROPA[C]CYCLOHEPTENE

3-FLUORO-6,6A-DIHYDRO-1AH-1-OXA-CYCLOPROPA[A]INDENE

939760-59-5 3-FLUORO-6,6A-DIHYDRO-1AH-1-OXA-CYCLOPROPA[A]INDENE

5-CHLORO-6,6A-DIHYDRO-1AH-1-OXA-CYCLOPROPA[A]INDENE

74124-88-2 5-CHLORO-6,6A-DIHYDRO-1AH-1-OXA-CYCLOPROPA[A]INDENE

3-METHOXY-6,6A-DIHYDRO-1AH-1-OXA-CYCLOPROPA[A]INDENE

166411-96-7 3-METHOXY-6,6A-DIHYDRO-1AH-1-OXA-CYCLOPROPA[A]INDENE

3-BROMO-6,6A-DIHYDRO-1AH-1-OXA-CYCLOPROPA[A]INDENE

939760-60-8 3-BROMO-6,6A-DIHYDRO-1AH-1-OXA-CYCLOPROPA[A]INDENE

3,5-DICHLORO-6,6A-DIHYDRO-1AH-1-OXA-CYCLOPROPA[A]INDENE

939760-61-9 3,5-DICHLORO-6,6A-DIHYDRO-1AH-1-OXA-CYCLOPROPA[A]INDENE

5-FLUORO-6,6A-DIHYDRO-1AH-1-OXA-CYCLOPROPA[A]INDENE

939760-62-0 5-FLUORO-6,6A-DIHYDRO-1AH-1-OXA-CYCLOPROPA[A]INDENE

dernière mise à jour : 1566708-15-3 2632308-14-4 2747918-45-0 2637370-86-4 1566326-43-9 1566722-26-6 1565025-23-1 1564889-53-7 1566621-11-1 1566247-71-9

Répertoire

1. nom et identifiant

: 1.1 Nom du produit; 1.2 synonymes; 1.3 Numéro CAS; 1.4 CID; 1.5 Formule moléculaire; 1.6 Inchi; 1.7 InchiKey; 1.8 Canonique SMILES; 1.9 Isomérique SMILES

2. Propriétés

: 2.1 Densité; 2.2 Point d'ébullition; 2.3 Indice de réfraction; 2.4 Point d'éclair; 2.5 PSA; 2.6 logP

4.données chimiques calculées

5.Fournisseurs recommandés