기본 정보
- CAS
868273-24-9- 표준 SMILES
CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2cccc(Cl)c2)=C(O)C1- InChIKey
IUZAYWPRPYUXOA-UHFFFAOYSA-N- 분자식
- C23H27ClO4
- 평균 분자량
- 402.9 g/mol
이름 및 식별자
- 우선 이름
- 2,2'-((3-Chlorophenyl)methylene)bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)
- IUPAC
- 2-[(3-chlorophenyl)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
- 영어명
- 2-((3-Chlorophenyl)(6-hydroxy-4,4-dimethyl-2-oxocyclohex-1-enyl)methyl)-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
- 분자식
- C23H27ClO4
- 분자량
- 402.91
이름 및 동의어
868273-24-92,2'-((3-Chlorophenyl)methylene)bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)2,2'-[(3-chlorophenyl)methylene]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)SCHEMBL31146973TJB27324MFCD01567672STL427030AKOS0033792442-((3-chlorophenyl)(6-hydroxy-4,4-dimethyl-2-oxocyclohex-1-enyl)methyl)-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one2-[(3-chlorophenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-oneMS-10372(2,2'-((3-chlorophenyl)methylene)bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one))
이름 더 보기
2-Cyclohexen-1-one, 2,2'-[(3-chlorophenyl)methylene]bis[3-hydroxy-5,5-dimethyl-
2,2'-[(3-chlorophenyl)methanediyl]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)2-[(3-chlorophenyl)-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)methyl]-3-hydroxy-5,5-dimethyl-cyclohex-2-en-1-one
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 74.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 692
물리화학적 성질
- 녹는점
- 188 · 188-190 °C(Solv: ethanol (64-17-5))
- 끓는 점
- 545.3 · 545.3±50.0 °C(Predicted)
- 밀도
- 1.263 · 1.263±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.36 · 4.36±0.42(Predicted)
화학 및 산업
공급사4 곳
Key Organics Ltd.[email protected]
MENAI[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
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