Win 58768
기본 정보
- CAS
152665-33-3- 표준 SMILES
Cc1cc(-c2nnn(C)n2)cc(C)c1O- InChIKey
RYBFPEHWIREKRA-UHFFFAOYSA-N- 분자식
- C10H12N4O
- 평균 분자량
- 204.23 g/mol
개요
structure given in first source
이름 및 식별자
- 우선 이름
- Win 58768
- IUPAC
- 2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenol
- 영어명
- 2,6-dimethyl-4-(2-methyl-1H-tetrazol-5-ylidene)cyclohexa-2,5-dien-1-on e
- 분자식
- C10H12N4O
- 분자량
- 204.23
이름 및 동의어
152665-33-3Win 58768Win-58768RefChem:1948862,6-dimethyl-4-(2-methyltetrazol-5-yl)phenol2-methyl-5-(3,5-dimethyl-4-hydroxyphenyl)-2H-tetrazole5-(3,5-Dimethyl-4-hydroxyphenyl)-2-methyltetrazoleSCHEMBL8553788SCHEMBL8556589DTXSID10934564RYBFPEHWIREKRA-UHFFFAOYSA-N2,6-DIMETHYL-4-(2-METHYL-1H-TETRAZOL-5-YLIDENE)CYCLOHEXA-2,5-DIEN-1-ON E
이름 더 보기
4-(2-methyl-tetrazol-5-yl)-2,6-dimethylphenol2-methyl-5-(3,5-dimethyl-4-hydroxyphenyl)tetrazolePhenol, 2,6-dimethyl-4-(2-methyl-2H-tetrazol-5-yl)-Tetrazole, 5-(3,5-dimethyl-4-hydroxyphenyl)-2-methyl-2,6-Dimethyl-4-(2-methyl-1,2-dihydro-5H-tetrazol-5-ylidene)cyclohexa-2,5-dien-1-one
데이터베이스 식별자
- CAS
152665-33-3- PubChem CID
- 148372
- DTXSID
DTXSID10934564- Nikkaji
- J845.179F
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 63.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 213
물리화학적 성질
- 끓는 점
- 405.9 · 405.9±55.0 °C(Predicted)
- 밀도
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 8.6 · 8.60±0.25(Predicted)
관련 반응
13건
화합물 노트
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