기본 정보
- 표준 SMILES
CC1(C)OC(=O)C(O)=C1c1ccc(S(C)(=O)=O)cc1- InChIKey
WIPWTSYHKQQKJC-UHFFFAOYSA-N- 분자식
- C13H14O5S
- 평균 분자량
- 282.31 g/mol
이름 및 식별자
- 우선 이름
- 3-Hydroxy-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone
- IUPAC
- 3-hydroxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one
이름 및 동의어
189955-89-33-Hydroxy-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone3-Hydroxy-5,5-dimethyl-4-(4-(methylsulfonyl)phenyl)furan-2(5H)-onestarbld0003234SCHEMBL2499349WIPWTSYHKQQKJC-UHFFFAOYSA-N3-Hydroxy-4-[4-(methylsulfonyl)phenyl]-5,5-dimethyl-2(5H)-furanone3-hydroxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one5,5-dimethyl-3-hydroxy-4-(4-methylsulfonylphenyl)-5h-furan-2-one5,5-dimethyl-3-hydroxy-4-(4-(methylsulfonyl)phenyl)-5H-furan-2-one3-Hydroxy-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone; Descyclopropylmethyl Firocoxib
데이터베이스 식별자
- PubChem CID
- 15542204
- Nikkaji
- J1.495.234I
물성
구조 계산 물성
- XLogP
- 1.1
- 극성 표면적
- 89.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 516
관련 반응
11건
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