Dioxopyritrione
기본 정보
- CAS
2138855-12-4- 표준 SMILES
COc1ccc(-n2nc(C)cc(C(=O)C3C(=O)CCCC3=O)c2=O)cc1OC- InChIKey
ANQRDMDBJYHVII-UHFFFAOYSA-N- 분자식
- C20H20N2O6
- 평균 분자량
- 384.4 g/mol
- 단동위원소 질량
- 384.13213636
이름 및 식별자
- 우선 이름
- Dioxopyritrione
- IUPAC
- 2-[2-(3,4-dimethoxyphenyl)-6-methyl-3-oxopyridazine-4-carbonyl]cyclohexane-1,3-dione
이름 및 동의어
DioxopyritrioneB7LRA7V6JVRefChem:1083758DTXCID4017677302222257-79-4DTXSID001337339Dioxopyritrione [ISO]2138855-12-42-(2-(3,4-dimethoxyphenyl)-6-methyl-3-oxo-2,3-dihydropyridazine-4-carbonyl)cyclohexane-1,3-dione1,3-Cyclohexanedione, 2-((2-(3,4-dimethoxyphenyl)-2,3-dihydro-6-methyl-3-oxo-4-pyridazinyl)carbonyl)-1,3-Cyclohexanedione, 2-[[2-(3,4-dimethoxyphenyl)-2,3-dihydro-6-methyl-3-oxo-4-pyridazinyl]carbonyl]-2-((2-(3,4-Dimethoxyphenyl)-2,3-dihydro-6-methyl-3-oxo-4-pyridazinyl)carbonyl)-1,3-cyclohexanedione
이름 더 보기
2-(3,4-Dimethoxyphenyl)-4-((2-hydroxy-6-oxo-1-cyclohexen-1-yl)carbonyl)-6-methyl-3(2H)-pyridazinone2-(3,4-dimethoxyphenyl)-4-[(2-hydroxy-6-oxo-1-cyclohexen-1-yl)carbonyl]-6-methyl-3(2H)-pyridazinone2-[[2-(3,4-Dimethoxyphenyl)-2,3-dihydro-6-methyl-3-oxo-4-pyridazinyl]carbonyl]-1,3-cyclohexanedioneUNII-B7LRA7V6JVSCHEMBL194634482-(3,4-dimethoxyphenyl)-4-[(2-hydroxy-6-oxocyclohex-1-en-1-yl)carbonyl]-6-methylpyridazin-3(2H)-one3(2H)-Pyridazinone, 2-(3,4-dimethoxyphenyl)-4-((2-hydroxy-6-oxo-1-cyclohexen-1-yl)carbonyl)-6-methyl-
데이터베이스 식별자
- CAS
2138855-12-4- PubChem CID
- 132010357
- UNII
- B7LRA7V6JV
물성
구조 계산 물성
- XLogP
- 1.2
- 극성 표면적
- 102 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 740
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