기본 정보
- 표준 SMILES
Cc1cc(C(=C2C=CC(=O)C=C2)c2ccc(O)cc2)ccc1O- InChIKey
TWNIXJJSBDRPSN-UHFFFAOYSA-N- 분자식
- C20H16O3
- 평균 분자량
- 304.3 g/mol
- 단동위원소 질량
- 304.10994437
이름 및 식별자
- 우선 이름
- 4-((4-Hydroxy-3-methylphenyl)(4-hydroxyphenyl)methylene)cyclohexa-2,5-dien-1-one
- IUPAC
- 4-[(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one
- 영어명
- 4-[(4-hydroxy-3-methylphenyl)(4-hydroxyphenyl)methylene]cyclohexa-2,5-dien-1-one
- 분자식
- C20H16O3
- 분자량
- 304.33924
이름 및 동의어
4-((4-Hydroxy-3-methylphenyl)(4-hydroxyphenyl)methylene)cyclohexa-2,5-dien-1-one35675-66-2EINECS 252-671-64-[(4-hydroxy-3-methylphenyl)(4-hydroxyphenyl)methylene]cyclohexa-2,5-dien-1-oneDTXSID001891822,5-Cyclohexadien-1-one, 4-[(4-hydroxy-3-methylphenyl)(4-hydroxyphenyl)methylene]-2,5-Cyclohexadien-1-one, 4-((4-hydroxy-3-methylphenyl)(4-hydroxyphenyl)methylene)-RefChem:509497DTXCID30111673252-671-6633-00-14-(Bis(4-hydroxyphenyl)methylene)-2-methyl-2,5-cyclohexadien-1-one
이름 더 보기
2,5-Cyclohexadien-1-one, 4-(4-hydroxy-3-methylphenyl)(4-hydroxyphenyl)methylene-4-[(4-Hydroxy-3-methylphenyl)(4-hydroxyphenyl)methylene]-2,5-cyclohexadien-1-one
4-[(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-oneBRN 25922322,5-Cyclohexadien-1-one, 4-(bis(p-hydroxyphenyl)methylene)-2-methyl-4-(Bis(p-hydroxyphenyl)methylene)-2-methyl-2,5-cyclohexadien-1-oneSCHEMBL28938042TWNIXJJSBDRPSN-UHFFFAOYSA-NWSRGFVKIQYLNMY-UHFFFAOYSA-NDTXSID201317969
데이터베이스 식별자
- CAS
35675-66-2、633-00-1- PubChem CID
- 120307
- DTXSID
DTXSID00189182- EC Number
- 252-671-6
- Nikkaji
- J135.617H、J260.668B
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 57.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 517
실험 및 물리화학적 성질
Endocrine DisruptorsPotential endocrine disrupting compound
안전 및 규제
유해성 정보
Regulatory Information4-((4-Hydroxy-3-methylphenyl)(4-hydroxyphenyl)methylene)cyclohexa-2,5-dien-1-one: Does not have an individual approval but may be used under an appropriate group standard
화학 및 산업
공급사16 곳
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成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
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