기본 정보
- CAS
60435-69-0- 표준 SMILES
Cc1c(C#N)c(O)[nH]c(=O)c1N=Nc1ccc2c3c(cccc13)C(=O)NC2=O- InChIKey
JRKGYSDIGGBMPD-UHFFFAOYSA-N- 분자식
- C19H11N5O4
- 평균 분자량
- 373.3 g/mol
- 단동위원소 질량
- 373.08110385
이름 및 식별자
- 우선 이름
- 5-((2,3-Dihydro-1,3-dioxo-1H-benz(de)isoquinolin-6-yl)azo)-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile
- IUPAC
- 5-[(1,3-dioxobenzo[de]isoquinolin-6-yl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile
- 영어명
- 5-[(2,3-dihydro-1,3-dioxo-1H-benz[de]isoquinolin-6-yl)azo]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile
- 분자식
- C19H11N5O4
- 분자량
- 373.32
이름 및 동의어
60435-69-05-((2,3-Dihydro-1,3-dioxo-1H-benz(de)isoquinolin-6-yl)azo)-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile5-[(2,3-dihydro-1,3-dioxo-1H-benz[de]isoquinolin-6-yl)azo]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrileEINECS 262-233-6JRKGYSDIGGBMPD-UHFFFAOYSA-NDTXSID001103786DB-295897NS000545895-[2-(2,3-Dihydro-1,3-dioxo-1H-benz[de]isoquinolin-6-yl)diazenyl]-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile5-[[(2,3-Dihydro-1,3-dioxo-1H-benz[de]isoquinolin)-6-yl]azo]-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile5-[[(2,3-Dihydro-1,3-dioxo-1H-benzo[de]isoquinoline)-6-yl]azo]-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile3-Pyridinecarbonitrile, 5-[2-(2,3-dihydro-1,3-dioxo-1H-benz[de]isoquinolin-6-yl)diazenyl]-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-
데이터베이스 식별자
- CAS
60435-69-0- PubChem CID
- 108942
- DTXSID
DTXSID001103786
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 144 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 909
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