Methyl 1,6-dihydro-4-hydroxy-6-oxo-1-phenyl-3-pyridazinecarboxylate

HCID 54686161CAS 121582-53-4

기본 정보

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

관련 반응

22건

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