기본 정보
- CAS
802541-13-5- 표준 SMILES
CCOC(=O)c1nn(C)c2c1CCCC2=O- InChIKey
CYKSYDSDCBBLQG-UHFFFAOYSA-N- 분자식
- C11H14N2O3
- 평균 분자량
- 222.24 g/mol
- 단동위원소 질량
- 222.10044231
이름 및 식별자
- 우선 이름
- ethyl 1-methyl-7-oxo-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate
- IUPAC
- ethyl 1-methyl-7-oxo-5,6-dihydro-4H-indazole-3-carboxylate
- 영어명
- 1H-Indazole-3-carboxylicacid,4,5,6,7-tetrahydro-1-methyl-7-oxo-,ethylester(9CI)
- 분자식
- C11H14N2O3
- 분자량
- 222.24
이름 및 동의어
802541-13-5ethyl 1-methyl-7-oxo-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate1H-Indazole-3-carboxylic acid, 4,5,6,7-tetrahydro-1-methyl-7-oxo-, ethyl esterMFCD166590871-Methyl-7-oxo-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid ethyl esterethyl 1-methyl-7-oxo-5,6-dihydro-4H-indazole-3-carboxylateEthyl 1-methyl-7-oxo-4567-tetrahydro-1H-indazole-3-carboxylateethyl 1-mSCHEMBL3502504DTXSID00657997CYKSYDSDCBBLQG-UHFFFAOYSA-NAKOS015850956
이름 더 보기
ethyl 1-methyl-7-oxo-3a,4,5,6,7,7a-hexahydro-1H-indazole-3-carboxylate4,5,6,7-Tetrahydro-1-methyl-7-oxo-1H-indazole-3-carboxylicacid ethyl ester1H-Indazole-3-carboxylicacid,4,5,6,7-tetrahydro-1-methyl-7-oxo-,ethylester1H-Indazole-3-carboxylicacid,4,5,6,7-tetrahydro-1-methyl-7-oxo-,ethylester(9CI)
CS-W006618SB38827AC-22820DS-12055SY101919DB-024849F30191F093607
데이터베이스 식별자
- CAS
802541-13-5- PubChem CID
- 44236352
- DTXSID
DTXSID00657997
물성
구조 계산 물성
- XLogP
- 1.2
- 극성 표면적
- 61.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 306
물리화학적 성질
- 저장 조건
- Sealed in dry,Room Temperature
화학 및 산업
공급사40 곳
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