기본 정보
- CAS
371236-77-0- 표준 SMILES
COc1cc(C2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCO)ccc1O- InChIKey
HTHSPUADIQJKMF-UHFFFAOYSA-N- 분자식
- C20H18ClNO6
- 평균 분자량
- 403.8 g/mol
- 단동위원소 질량
- 403.082265
이름 및 식별자
- 우선 이름
- (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(2-hydroxyethyl)-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione
- IUPAC
- (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(2-hydroxyethyl)-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione
- 영어명
- 4-(4-chlorobenzoyl)-3-hydroxy-1-(2-hydroxyethyl)-5-(4-hydroxy-3-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one
- 분자식
- C20H18ClNO6
- 분자량
- 403.81
이름 및 동의어
371236-77-0DTXSID6011104124-(4-chlorobenzoyl)-3-hydroxy-1-(2-hydroxyethyl)-5-(4-hydroxy-3-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-oneSTL037224AKOS005691232(4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(2-hydroxyethyl)-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione4-(4-Chlorobenzoyl)-1,5-dihydro-3-hydroxy-1-(2-hydroxyethyl)-5-(4-hydroxy-3-methoxyphenyl)-2H-pyrrol-2-one2H-Pyrrol-2-one, 4-(4-chlorobenzoyl)-1,5-dihydro-3-hydroxy-1-(2-hydroxyethyl)-5-(4-hydroxy-3-methoxyphenyl)-
데이터베이스 식별자
- CAS
371236-77-0- PubChem CID
- 5791565
- DTXSID
DTXSID601110412
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 107 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 630
화학 및 산업
공급사2 곳
Interbioscreen Ltd.[email protected]
SPECS[email protected]
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