4-[(8-Cycloproply-3 4-dihydro-4,4-dimethylspiro[2H-1-benzopyran-2,1'-cyclopropane]-6-yl)ethynyl]-2-fluoro-benzeneacetic acid
기본 정보
- 표준 SMILES
CC1(C)CC2(CC2)Oc2c(C3CC3)cc(C#Cc3ccc(CC(=O)O)c(F)c3)cc21- InChIKey
YFWAMPGMERJYRF-UHFFFAOYSA-N- 분자식
- C26H25FO3
- 평균 분자량
- 404.5 g/mol
이름 및 식별자
- 우선 이름
- 4-[(8-Cycloproply-3 4-dihydro-4,4-dimethylspiro[2H-1-benzopyran-2,1'-cyclopropane]-6-yl)ethynyl]-2-fluoro-benzeneacetic acid
- IUPAC
- 2-[4-[2-(8-cyclopropyl-4,4-dimethylspiro[3H-chromene-2,1'-cyclopropane]-6-yl)ethynyl]-2-fluorophenyl]acetic acid
이름 및 동의어
SCHEMBL5738022YFWAMPGMERJYRF-UHFFFAOYSA-N4-[(8-Cycloproply-3 4-dihydro-4,4-dimethylspiro[2H-1-benzopyran-2,1 '-cyclopropane]-6-yl)ethynyl]-2-fluoro-benzeneacetic acid4-[(8-Cyclopropyl-3,4-dihydro-4,4-dimethlspiro[2 H-1-benzopyran-2,1'-cyclopropane]-6-yl)ethynyl]-2-fluoro-benzeneaceticacid4-[(8-Cyclopropyl-3,4-dihydro-4,4-dimethylspiro[2H-1-benzopyran-2,1'-cyclopropane]-6-yl)ethvnyl]-2-fluoro-benzeneacetic acid4-[(8-Cyclopropyl-3,4-dihydro-4,4-dimethylspiro[2H-1-benzopyran-2,1'-cyclopropane]-6-yl)ethynyl]-2-fluoro-benzeneacetic acid4-[(8-Cyclopropyl-3,4-dihydro-4,4-dimethylspiro[2H-1-benzopyran-2.1'-cyclopropane]-6-yl)ethynyl]-2-fluoro-benzeneacetic acid
데이터베이스 식별자
- PubChem CID
- 9822511
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 753
관련 반응
15건
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