기본 정보
- CAS
72614-75-6- 표준 SMILES
Cc1c(C#N)c(O)n(C)c(=O)c1N=Nc1ccc(C(=O)O)cc1- InChIKey
HXYFIRLXYOQUDP-UHFFFAOYSA-N- 분자식
- C15H12N4O4
- 평균 분자량
- 312.28 g/mol
- 단동위원소 질량
- 312.08585488
이름 및 식별자
- 우선 이름
- 4-((5-Cyano-1,6-dihydro-2-hydroxy-1,4-dimethyl-6-oxopyridin-3-yl)azo)benzoic acid
- IUPAC
- 4-[(5-cyano-6-hydroxy-1,4-dimethyl-2-oxo-3-pyridinyl)diazenyl]benzoic acid
- 영어명
- 4-[(5-cyano-1,6-dihydro-2-hydroxy-1,4-dimethyl-6-oxopyridin-3-yl)azo]benzoic acid
- 분자식
- C15H12N4O4
- 분자량
- 312.28
이름 및 동의어
72614-75-6EINECS 276-731-64-((5-Cyano-1,6-dihydro-2-hydroxy-1,4-dimethyl-6-oxopyridin-3-yl)azo)benzoic acid4-[(5-Cyano-2-hydroxy-1,4-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)diazenyl]benzoic acidSCHEMBL15886780IYAQJQQNWDKPCC-UHFFFAOYSA-NDTXSID601123548MFCD03175200STL342815AKOS001648709AKOS022102130NS00062712
이름 더 보기
4-[(5-cyano-1,6-dihydro-2-hydroxy-1,4-dimethyl-6-oxopyridin-3-yl)azo]benzoic acid
AN-465/14952028SR-01000082295SR-01000082295-14-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-1,6-dihydro-3-pyridinyl)diazenyl]benzoic acid4-[2-(5-Cyano-1,6-dihydro-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)diazenyl]benzoic acid(E)-4-(2-(5-cyano-1,4-dimethyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)hydrazinyl)benzoic acid4-[(1E)-2-(5-CYANO-2-HYDROXY-1,4-DIMETHYL-6-OXO-1,6-DIHYDROPYRIDIN-3-YL)DIAZEN-1-YL]BENZOIC ACID4-[(2E)-2-(5-cyano-1,4-dimethyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)hydrazinyl]benzoic acid
데이터베이스 식별자
- CAS
72614-75-6
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 126 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 675
물리화학적 성질
- 끓는 점
- 449.219 · 449.219±45.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.41 · 1.410±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 1.761 · 1.761±0.58(predicted)
관련 반응
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