기본 정보
- CAS
125732-40-3- 표준 SMILES
CCOC(=O)c1c(C)[nH][nH]c1=O- InChIKey
CWADBBSOZFXYQV-UHFFFAOYSA-N- 분자식
- C7H10N2O3
- 평균 분자량
- 170.17 g/mol
- 단동위원소 질량
- 170.06914219
이름 및 식별자
- 우선 이름
- ethyl 5-methyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate
- IUPAC
- ethyl 3-methyl-5-oxo-1,2-dihydropyrazole-4-carboxylate
- 영어명
- ethyl 5-Methyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate
- 분자식
- C7H10N2O3
- 분자량
- 170.17
이름 및 동의어
125732-40-3ethyl 5-methyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylateEthyl 5-hydroxy-3-methyl-1H-pyrazole-4-carboxylateEthyl 3-methyl-5-oxo-1,2-dihydropyrazole-4-carboxylateSCHEMBL1660818SCHEMBL7513038SCHEMBL7519069CWADBBSOZFXYQV-UHFFFAOYSA-NAFA73240AT39766DB-108739EN300-249579
이름 더 보기
ethyl 5-Methyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate15-Hydroxy-3-methyl-1H-pyrazole-4-carboxylic acid ethyl ester1H-Pyrazole-4-carboxylic acid, 2,3-dihydro-5-methyl-3-oxo-, ethyl ester
Ethyl5-hydroxy-3-methyl-1H-pyrazole-4-carboxylate3-methyl-5-oxo-1,2-dihydro-pyrazole-4-carboxylic acid ethyl ester5-Methyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylic acid ethyl ester5-methyl-3-oxo-2,3-dihydro-1H-pyrazole4-carboxylic acid ethyl ester
데이터베이스 식별자
- CAS
125732-40-3- PubChem CID
- 11389644
- Nikkaji
- J1.734.771C
물성
구조 계산 물성
- XLogP
- 0.5
- 극성 표면적
- 67.4 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 257
화학 및 산업
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