기본 정보
- CAS
71867-98-6- 표준 SMILES
CSc1ccc(C(=O)C(C)(C)O)cc1- InChIKey
RCHVDUSMVBWVNY-UHFFFAOYSA-N- 분자식
- C11H14O2S
- 평균 분자량
- 210.29 g/mol
- 단동위원소 질량
- 210.07145069
이름 및 식별자
- 우선 이름
- 2-Hydroxy-4'(methylthio)isobutyrophenone
- IUPAC
- 2-hydroxy-2-methyl-1-(4-methylsulfanylphenyl)propan-1-one
이름 및 동의어
2-hydroxy-4'(methylthio)isobutyrophenone71867-98-6SCHEMBL6964815DTXSID90465083RCHVDUSMVBWVNY-UHFFFAOYSA-N2-Hydroxy-2-methyl-1-(4-(methylthio)phenyl)-propan-1-one2-HYDROXY-2-METHYL-1-[4-(METHYLSULFANYL)PHENYL]PROPAN-1-ONE2-Hydroxy-4'-(methylthio)isobutyrophenone2-hydroxy-2-methyl-1-(4-methylthiophenyl)-propan-1-one2-hydroxy-2methyl-1-(4-(methylthio)phenyl)propan-1-one2-hydroxy-2-methyl-1-(4-(methylthio) phenyl)propan-1-one2-Hydroxy-2-methyl-1-(4-(methylthio)phenyl)propan-1-one
이름 더 보기
2-hydroxy-2-methyl-1 -(4-(methylthio) phenyl)propan-1-one
데이터베이스 식별자
- CAS
71867-98-6- PubChem CID
- 11413168
- DTXSID
DTXSID90465083- Nikkaji
- J1.203.085A
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 62.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 205
관련 반응
44건
화합물 노트
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