기본 정보
- CAS
304854-36-2- 표준 SMILES
COc1cccc(-c2ccc3c(c2)C(C)(C)OC(=O)N3)c1- InChIKey
XCKPZLTYDJLOFR-UHFFFAOYSA-N- 분자식
- C17H17NO3
- 평균 분자량
- 283.32 g/mol
- 단동위원소 질량
- 283.1208434
이름 및 식별자
- 우선 이름
- 6-(3-Methoxyphenyl)-4,4-dimethyl-1H-benzo[D][1,3]oxazin-2(4H)-one
- IUPAC
- 6-(3-methoxyphenyl)-4,4-dimethyl-1H-3,1-benzoxazin-2-one
- 영어명
- 6-(3-Methoxyphenyl)-4,4-dimethyl-1H-benzo[d][1,3]oxazin-2(4H)-one
- 분자식
- C17H17NO3
- 분자량
- 283.32
이름 및 동의어
304854-36-26-(3-METHOXYPHENYL)-4,4-DIMETHYL-1H-BENZO[D][1,3]OXAZIN-2(4H)-ONECHEMBL1361666-(3-Methoxy-phenyl)-4,4-dimethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-oneSCHEMBL3870564DTXSID70431105XCKPZLTYDJLOFR-UHFFFAOYSA-N6-(3-methoxyphenyl)-4,4-dimethyl-1H-3,1-benzoxazin-2-oneBDBM50118697DB-3501386-(3-Methoxy-phenyl)-4,4-dimethyl-1,4-dihydro-benzo[d]1,3oxazin-2-one6-(3-Methoxy-phenyl)-4,4dimethyl-1,4-dihydro-benzo[d][1,3]-oxazin-2-one
이름 더 보기
2H-3,1-Benzoxazin-2-one, 1,4-dihydro-6-(3-methoxyphenyl)-4,4-dimethyl-
6-(3-Methoxy-phenyl)4,4-dimethyl-1,4-dihydro-benzo[d][1,3]-oxazin-2one6-(3-Methoxyphenyl)-4,4-dimethyl-1,4-dihydro-2H-3,1-benzoxazin-2-one6-(3-Methoxy-phenyl)-4,4-dimethyl-1,4-dihydro-benzo[d][1,3]-oxazin-2-one6-(3-Methoxy-phenyl)-4,4-dimethyl-1,4-dihydro-benzo[d][1.3]-oxazin-2-one6-(3-Methoxy-phenyl)4,4-dimethyl-1,4-dihydro-benzo [d] [1,3]-oxazin-2one
데이터베이스 식별자
- CAS
304854-36-2- PubChem CID
- 9814351
- DTXSID
DTXSID70431105- ChEMBL
CHEMBL136166
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 47.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 395
물리화학적 성질
- 끓는 점
- 383 · 383.0±42.0 °C(Predicted)
- 밀도
- 1.144 · 1.144±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.32 · 13.32±0.40(Predicted)
화학 및 산업
공급사2 곳
MILESTONE[email protected]
3B Scientific Corporation[email protected]
관련 반응
12건
화합물 노트
불러오는 중…