Meta-Hydroxyphenylhydracrylic acid
기본 정보
- CAS
64662-02-8- 표준 SMILES
O=C(O)C(CO)c1cccc(O)c1- InChIKey
DGBMCKWHCNMPPE-UHFFFAOYSA-N- 분자식
- C9H10O4
- 평균 분자량
- 182.17 g/mol
- 단동위원소 질량
- 182.0579088
개요
Meta-hydroxyphenylhydracrylic acid is a hydroxy monocarboxylic acid that is propionic acid substituted by a hydroxy group at position 3 and a 3-hydroxyphenyl group at position 2. It is a metabolite of flavonoids and has been identified as one of the major phenolic acids in human urine. It has a role as a human xenobiotic metabolite. It is a member of phenols and a hydroxy monocarboxylic acid. It is functionally related to a propionic acid.
이름 및 식별자
- 우선 이름
- Meta-Hydroxyphenylhydracrylic acid
- IUPAC
- 3-hydroxy-2-(3-hydroxyphenyl)propanoic acid
이름 및 동의어
meta-hydroxyphenylhydracrylic acid3-hydroxy-2-(3-hydroxyphenyl)propanoic acidET93YCZ5MJ64662-02-8CHEBI:783363-Hydroxy-alpha-(hydroxymethyl)benzeneacetic acidBenzeneacetic acid, 3-hydroxy-alpha-(hydroxymethyl)-3-HYDROXY-.ALPHA.-(HYDROXYMETHYL)BENZENEACETIC ACIDBENZENEACETIC ACID, 3-HYDROXY-.ALPHA.-(HYDROXYMETHYL)-RefChem:201630starbld0046854UNII-ET93YCZ5MJ
이름 더 보기
Meta-hydroxyphenylhydracrylatem-hydroxyphenylhydracrylic acidSCHEMBL4957164SCHEMBL31188945
데이터베이스 식별자
- CAS
64662-02-8- PubChem CID
- 22600106
- ChEBI
CHEBI:78336- UNII
- ET93YCZ5MJ
- Nikkaji
- J1.130.397H
물성
구조 계산 물성
- XLogP
- 0.4
- 극성 표면적
- 77.8 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 180
관련 반응
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