기본 정보
- 표준 SMILES
CC(C)(O)C(=O)c1ccc(S(C)(=O)=O)cc1- InChIKey
UXGJQQXURDIXEB-UHFFFAOYSA-N- 분자식
- C11H14O4S
- 평균 분자량
- 242.29 g/mol
이름 및 식별자
- 우선 이름
- 2-Hydroxy-2-methyl-1-(4-(methylsulfonyl)phenyl)propan-1-one
- IUPAC
- 2-hydroxy-2-methyl-1-(4-methylsulfonylphenyl)propan-1-one
이름 및 동의어
180048-73-12-Hydroxy-2-methyl-1-(4-(methylsulfonyl)phenyl)propan-1-one2-hydroxy-4'-(methylsulfonyl)isobutyrophenone2-hydroxy-2-methyl-1-(4-(methylsulfonyl)-phenyl)propan-1-oneSCHEMBL6962389UXGJQQXURDIXEB-UHFFFAOYSA-N2-hydroxy-4'-(methylsulfonyl) isobutyrophenone2-hydroxy-2-methyl-1-(4-(methylsulfonyl) phenyl)propan-1-one2-hydroxy-2-methyl-1-(4-(methylsulfonyl)phenyl)propan- l-one2-Hydroxy-2-methyl-1-(4-methylsulfonylphenyl)-propan-1-one2-Hydroxy-2-methyl-1 -(4-(methylsulfonyl)phenyl)propan-1 -one
데이터베이스 식별자
- PubChem CID
- 15428514
- Nikkaji
- J1.203.086J
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 79.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 356
관련 반응
28건
연결된 노트
불러오는 중…