기본 정보
- CAS
139484-01-8- 표준 SMILES
CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2ccccc2F)=C(O)C1- InChIKey
HXOJVIYKTFZXFL-UHFFFAOYSA-N- 분자식
- C23H27FO4
- 평균 분자량
- 386.5 g/mol
이름 및 식별자
- 우선 이름
- 2-[(2-Fluorophenyl)(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)methyl]-3-hydroxy-5,5-dimethyl-2-cyclohexen-1-one
- IUPAC
- 2-[(2-fluorophenyl)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
- 영어명
- 2-((2-FLUOROPHENYL)(6-HYDROXY-4,4-DIMETHYL-2-OXOCYCLOHEX-1-ENYL)METHYL)-3-HYDROXY-5,5-DIMETHYLCYCLOHEX-2-EN-1-ONE
- 분자식
- C23H27FO4
- 분자량
- 386.46
이름 및 동의어
139484-01-82-[(2-fluorophenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one2-[(2-fluorophenyl)(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)methyl]-3-hydroxy-5,5-dimethyl-2-cyclohexen-1-one2-[(2-fluorophenyl)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-oneMFCD01567674AKOS005109849MS-79492,2'-((2-Fluorophenyl)methylene)bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)2-[(2-fluorophenyl)-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)methyl]-3-hydroxy-5,5-dimethyl-cyclohex-2-en-1-one2-Cyclohexen-1-one, 2,2'-[(2-fluorophenyl)methylene]bis[3-hydroxy-5,5-dimethyl-2-[(2-Fluorophenyl)(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)methyl]-3-hydroxy-5,5-dimethyl2-((2-FLUOROPHENYL)(6-HYDROXY-4,4-DIMETHYL-2-OXOCYCLOHEX-1-ENYL)METHYL)-3-HYDROXY-5,5-DIMETHYLCYCLOHEX-2-EN-1-ONE
데이터베이스 식별자
- CAS
139484-01-8
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 74.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 692
물리화학적 성질
- 끓는 점
- 523.5 · 523.5±50.0 °C(Predicted)
- 밀도
- 1.242 · 1.242±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.26 · 4.26±0.42(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302
화학 및 산업
공급사3 곳
관련 반응
0건
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