6-(3-Methoxyphenyl)-4,4-dimethyl-1H-benzo[D][1,3]oxazin-2(4H)-one

HCID 9814351

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

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

3B Scientific Corporation[email protected]

관련 반응

12건

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