기본 정보
- CAS
85045-54-1- 표준 SMILES
CC(C)(O)C(C(=O)O)c1ccc(-c2ccccc2)cc1- InChIKey
ZNPAJPOVURPJFD-UHFFFAOYSA-N- 분자식
- C17H18O3
- 평균 분자량
- 270.32 g/mol
- 단동위원소 질량
- 270.12559443
이름 및 식별자
- 우선 이름
- Butanoic acid,2-(4-biphenylyl)-3-hydroxy-3-methy
- IUPAC
- 3-hydroxy-3-methyl-2-(4-phenylphenyl)butanoic acid
- 현지명
- 알파-(1-히드록시-1-메틸에틸)-비페닐아세트산,(-)-
- 영어명
- alpha-(1-Hydroxy-1-methylethyl)-biphenylacetic acid, (-)-
- 분자식
- C17H18O3
- 분자량
- 270.32
이름 및 동의어
DTXSID50874930BUTANOIC ACID,2-(4-BIPHENYLYL)-3-HYDROXY-3-METHY93371-55-2RefChem:1080349DTXCID401013054(1,1'-Biphenyl)-4-acetic acid, alpha-(1-hydroxy-1-methylethyl)-, (+)-(+)-2-(4-Biphenylyl)-3-hydroxy-3-methyl-butansaeure [German]85045-54-1(+)-alpha-(1-Hydroxy-1-methylethyl)-(1,1'-biphenyl)-4-acetic acid(+)-2-(4-Biphenylyl)-3-hydroxy-3-methyl-butansaeure(-)-2-(4-Biphenylyl)-3-hydroxy-3-methyl-butansaeure [German](-)-alpha-(1-Hydroxy-1-methylethyl)-(1,1'-biphenyl)-4-acetic acid
이름 더 보기
알파-(1-히드록시-1-메틸에틸)-비페닐아세트산,(-)-alpha-(1-Hydroxy-1-methylethyl)-biphenylacetic acid, (-)-[1,1'-Biphenyl]-4-acetic acid, α-(1-hydroxy-1-methylethyl)-, (-)-
(1,1'-Biphenyl)-4-acetic acid, alpha-(1-hydroxy-1-methylethyl)-, (-)-AKOS005145242(-)-2-(4-Biphenylyl)-3-hydroxy-3-methyl-butansaeure2-([1,1'-Biphenyl]-4-yl)-3-hydroxy-3-methylbutanoic acid85045-55-2
데이터베이스 식별자
- CAS
85045-54-1、85045-55-2、93371-55-2- PubChem CID
- 3069701
- DTXSID
DTXSID50874930- Nikkaji
- J1.588.942J
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 57.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 323
실험 및 물리화학적 성질
LogP3.68
물리화학적 성질
- 끓는 점
- 447.957 · 447.957±40.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.175 · 1.175±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 4.173 · 4.173±0.10(predicted)
관련 반응
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