6-(2-히드록시페닐)-4,6-디메틸-5-옥소-1,3-시클로헥사디엔-1-카르복실산메틸에스테르
Methyl 6-(2-hydroxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate
기본 정보
- CAS
40801-43-2- 표준 SMILES
COC(=O)C1=CC=C(C)C(=O)C1(C)c1ccccc1O- InChIKey
TYMSLJGRPUNYIN-UHFFFAOYSA-N- 분자식
- C16H16O4
- 평균 분자량
- 272.29 g/mol
- 단동위원소 질량
- 272.10485899
이름 및 식별자
- 우선 이름
- Methyl 6-(2-hydroxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate
- IUPAC
- methyl 6-(2-hydroxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylate
- 현지명
- 6-(2-히드록시페닐)-4,6-디메틸-5-옥소-1,3-시클로헥사디엔-1-카르복실산메틸에스테르
- 영어명
- 6-(2-Hydroxyphenyl)-4,6-dimethyl-5-oxo-1,3-cyclohexadiene-1-carboxylic acid methyl ester
- 분자량
- 0
이름 및 동의어
methyl 6-(2-hydroxyphenyl)-4,6-dimethyl-5-oxocyclohexa-1,3-diene-1-carboxylateDTXSID8034635740801-43-2RefChem:356213DTXCID20297430TYMSLJGRPUNYIN-UHFFFAOYSA-N1,3-Cyclohexadiene-1-carboxylic acid, 6-(2-hydroxyphenyl)-4,6-dimethyl-5-oxo-, methyl ester6-(2-Hydroxyphenyl)-4,6-dimethyl-5-oxo-1,3-cyclohexadiene-1-carboxylic acid methyl esterMethyl 2'-hydroxy-1,5-dimethyl-6-oxo-1,6-dihydro[1,1'-biphenyl]-2-carboxylateMethyl 6-(2-hydroxyphenyl)-4,6-dimethyl-5-oxo-1,3-cyclohexadiene-1-carboxylate #6-(2-히드록시페닐)-4,6-디메틸-5-옥소-1,3-시클로헥사디엔-1-카르복실산메틸에스테르
데이터베이스 식별자
- CAS
40801-43-2- PubChem CID
- 611466
- DTXSID
DTXSID80346357- Nikkaji
- J112.562A
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 63.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 489
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