3D Mol Similar

창술성().

: IUPAC이름：(4aS,8aR)-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran; CAS 레지스트리 번호: 6989-21-5; 분자량：216.3187

견적을 보내다

1. 이름 및 식별자

: 1.1 제품명; 창술성().; 1.2 동의어; (4aS)-4,4aα,5,6,7,8,8a,9-Octahydro-3,8aβ-dimethyl-5-methylenenaphtho[2,3-b]furan (4aS,8aR)-3,8a-diMethyl-5-Methylene-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan (4aS,8aR)-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran (4aS,8aR)-4,4a,5,6,7,8,8a,9-Octahydro-3,8a-dimethyl-5-methylene-naphtho[2,3-b]furan Atractyline Atractylon Naphtho[2,3-b]furan, 4,4a,5,6,7,8,8a,9-octahydro-3,8a-diMethyl-5-Methylene-, (4aS,8aR)-; 모두 보기

1.3 CAS 레지스트리 번호: 6989-21-5

1.4 CID: 3080635

1.5 분자식: C15H20O (isomer)

1.6 Inchi: InChI=1S/C15H20O/c1-10-5-4-6-15(3)8-14-12(7-13(10)15)11(2)9-16-14/h9,13H,1,4-8H2,2-3H3/t13-,15+/m0/s1

1.7 InchiKey: TYPSVDGIQAOBAD-DZGCQCFKSA-N

1.8 교회법에 의거 한 SMILES: CC1=COC2=C1CC3C(=C)CCCC3(C2)C

1.9 이성질체 SMILES: CC1=COC2=C1C[C@H]3C(=C)CCC[C@@]3(C2)C

2. 속성

2.1 밀도: 1.02±0.1 g/cm3 (20 oC 760 Torr)

2.2 융해점: 61-63℃

2.3 비등점: 287.1±19.0℃ (760 Torr)

2.4 굴절 인덱스: 1.535

2.5 번쩍이는 점: 121.7±8.3℃

2.6 PSA: 13.14000

2.7 logP: 4.04920

2.8 가용성: 几乎不溶 (0.011 g/L) (25 oC),

3. 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

4. 화학 데이터 계산

분자량: 216.3187g/mol
분자식: C₁₅H₂₀O
Compound Is Canonicalized: True
XLogP3-AA: 4
Exact Mass: 216.151415257
Monoisotopic Mass: 216.151415257
Complexity: 309
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 1
Topological Polar Surface Area: 13.1
Heavy Atom Count: 16
Defined Atom Stereocenter Count: 2
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADceBwIAAAAAAAAAAAAAAAAAAAASAAAAAwYAAAAAAAAEjBgAAAGgAAAAAADwSgmAIiBIAABECIAohSgAACCAAkIAAAiAEECMgMJjKENRqCGSCkwBEIqQeIyPCPgAAAAAAAAADAAAYAADAAAAAAAAAAAA==

5. 권장 공급업체

Global21공급자모두 보기 >>

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