3D Mol Similar

페놀-벤기-우레탄

: IUPAC이름：5-phenyloxolan-2-one; CAS 레지스트리 번호: 1008-76-0; 분자량：162.1852

견적을 보내다

1. 이름 및 식별자

: 1.1 제품명; 페놀-벤기-우레탄; 1.2 동의어; (±)-γ-Phenyl-γ-butyrolactone (RS)-γ-Phenyl-γ-butyrolactone 2(3H)-Furanone, dihydro-5-phenyl- 2,3-Dihydro-5-phenyl-2-furanone 4,5-Dihydro-5-phenyl-2(3H)-furanone 4-Phenyl-4-butanolide 4-Phenyl-4-hydroxybutanoic acid lactone 4-Phenylbutanolide 4-Phenyl-γ-butyrolactone 5-Phenyldihydrofuran-2(3H)-one 5-Phenyltetrahydrofuran-2-one Butyric acid, 4-hydroxy-4-phenyl-, γ-lactone Dihydro-5-phenyl-2(3H)furanone Dihydro-5-phenyl-2(3H)-furanone Dihydro-5-phenyl-2-furanone NSC 24259 NSC 48048 γ-Phenylbutyrolactone γ-Phenyl-γ-butanolide γ-Phenyl-γ-butyrolactone; 모두 보기

1.3 CAS 레지스트리 번호: 1008-76-0

1.4 CID: 13884

1.5 EINECS 번호: 213-761-0

1.6 분자식: C10H10O2 (isomer)

1.7 Inchi: InChI=1S/C10H10O2/c11-10-7-6-9(12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2

1.8 InchiKey: AEUULUMEYIPECD-UHFFFAOYSA-N

1.9 교회법에 의거 한 SMILES: C1CC(=O)OC1C2=CC=CC=C2

1.10 이성질체 SMILES: C1CC(=O)OC1C2=CC=CC=C2

2. 속성

2.1 밀도: 1.15

2.2 융해점: 36-37℃

2.3 비등점: 306℃

2.4 굴절 인덱스: 1.5415-1.5435

2.5 번쩍이는 점: 135.5°C

2.6 PSA: 26.30000

2.7 logP: 2.06470

3. 보안 및 처리

3.1 WGK 독일: 3

3.2 RTECS: LU3690000

4. MSDS 정보

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

모두 보기

5. NMR 스펙트럼

Mass spectrum (electron ionization)

6. 화학 데이터 계산

분자량: 162.1852g/mol
분자식: C₁₀H₁₀O₂
Compound Is Canonicalized: True
XLogP3-AA: 1.7
Exact Mass: 162.068079557
Monoisotopic Mass: 162.068079557
Complexity: 171
Rotatable Bond Count: 1
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 26.3
Heavy Atom Count: 12
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 1
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccBwMAAAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAABAAAAGgAAAAAADBSgmAIwCIAABACIAiDSCAACAAAgAAAIiAEACIgIJjKAMRiCMAAkwAEIqAeKyLCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

7. 권장 공급업체

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