Methyl 1,6-dihydro-4-hydroxy-6-oxo-1-phenyl-3-pyridazinecarboxylate
기본 정보
- CAS
121582-53-4- 표준 SMILES
COC(=O)c1nn(-c2ccccc2)c(=O)cc1O- InChIKey
PKKHFXIPQXUWGN-UHFFFAOYSA-N- 분자식
- C12H10N2O4
- 평균 분자량
- 246.22 g/mol
- 단동위원소 질량
- 246.0640568
이름 및 식별자
- 우선 이름
- Methyl 1,6-dihydro-4-hydroxy-6-oxo-1-phenyl-3-pyridazinecarboxylate
- IUPAC
- methyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylate
이름 및 동의어
121582-53-4Methyl 1,6-dihydro-4-hydroxy-6-oxo-1-phenyl-3-pyridazinecarboxylateRefChem:353238methyl 4-hydroxy-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxylateMethyl 4-hydroxy-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxylatemethyl 4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxylateOprea1_773054MLS000696253SCHEMBL388564CHEMBL1733370PKKHFXIPQXUWGN-UHFFFAOYSA-NDTXSID201162409
이름 더 보기
HMS2631L10AKOS005091784SMR0003333565D-0565-hydroxy-6-methoxycarbonyl-2-phenyl-pyridazin-3(2h)-oneMethyl4-hydroxy-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxylate4-hydroxy-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxylic acid methyl ester
데이터베이스 식별자
- CAS
121582-53-4- PubChem CID
- 54686161
- DTXSID
DTXSID201162409- ChEMBL
CHEMBL1733370- Nikkaji
- J314.415A
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 79.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 422
관련 반응
22건
화합물 노트
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