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기본 정보
- 표준 SMILES
COC(=O)/C=C/c1cccc(O)c1- InChIKey
PKALKWFZXXGNJD-AATRIKPKSA-N- 분자식
- C10H10O3
- 평균 분자량
- 178.18 g/mol
개요
Methyl (2E)-3-(3-hydroxyphenyl)acrylate is a cinnamate ester that is the methyl ester of (E)-3-hydroxycinnamic acid. It is a methyl ester, a member of phenols and a cinnamate ester. It is functionally related to a trans-3-coumaric acid.
이름 및 식별자
- 우선 이름
- Methyl 3-Coumarate
- IUPAC
- methyl (E)-3-(3-hydroxyphenyl)prop-2-enoate
이름 및 동의어
methyl (E)-3-(3-hydroxyphenyl)prop-2-enoateMethyl 3-CoumarateRefChem:108940766417-46-7Methyl trans-3-Hydroxycinnamate3-Hydroxycinnamic acid methyl esterMFCD092599492-Propenoic acid, 3-(3-hydroxyphenyl)-, methyl ester, (2E)-methyl (2E)-3-(3-hydroxyphenyl)prop-2-enoateMethyl (E)-3-(3-hydroxyphenyl)acrylateMethyl 3-(3-hydroxyphenyl)acrylatetrans-3-(3-hydroxyphenyl)acrylic acid methyl ester
이름 더 보기
2-Propenoic acid, 3-(3-hydroxyphenyl)-, methyl ester3943-95-1Cinnamic acid, m-hydroxy-, methyl esterMethyl 3-(3-hydroxyphenyl)-2-propenoatem-coumaric methyl esterMethyl m-hydroxycinnamatemethyl 3-hydroxycinnamatemethyl trans-3-coumarate
데이터베이스 식별자
- PubChem CID
- 5352910
- ChEMBL
CHEMBL151178- ChEBI
CHEBI:131393- Nikkaji
- J121.851D、J734.129F
물성
구조 계산 물성보충 중
- XLogP
- 2.1
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 198
관련 반응
4건
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