3-Hydroxy-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone

HCID 15542204

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

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11건

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