CAS 1350475-31-8 ethyl 3-acetyl-1-methyl-1H-pyrazole-5-carboxylate (HCID 71306158)

기본 정보

CAS: 1350475-31-8
표준 SMILES: CCOC(=O)c1cc(C(C)=O)nn1C
InChIKey: FQKCNTHLJQQWTA-UHFFFAOYSA-N
분자식: C9H12N2O3
평균 분자량: 196.2 g/mol
단동위원소 질량: 196.08479225

이름 및 식별자

우선 이름: ethyl 3-acetyl-1-methyl-1H-pyrazole-5-carboxylate
IUPAC: ethyl 3-acetyl-1-methylpyrazole-5-carboxylate
영어명: ethyl 3-acetyl-1-methyl-1H-pyrazole-5-carboxylate
분자식: C9H12N2O3
분자량: 196.2

이름 및 동의어

1350475-31-8ethyl 3-acetyl-1-methyl-1H-pyrazole-5-carboxylate5-ACETYL-2-METHYL-2H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTEREthyl 5-acetyl-2-methylpyrazole-3-carboxylateMFCD213623521H-Pyrazole-5-carboxylic acid, 3-acetyl-1-methyl-, ethyl esterSCHEMBL13279000FQKCNTHLJQQWTA-UHFFFAOYSA-NDTXSID301179716AKOS027255500AS-70842DA-34130

이름 더 보기

SY126002CS-0316522ethyl 5-acetyl-2-methyl-pyrazole-3-carboxylateW10362ethyl3-acetyl-1-methyl-1H-pyrazole-5-carboxylateF7217775-Acetyl-2-Methyl-2H-Pyrazole-3-Carboxylic Acid Ethyl Ester(WX626066)

데이터베이스 식별자

CAS: 1350475-31-8
PubChem CID: 71306158
DTXSID: DTXSID301179716

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 61.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 14
형식 전하: 0
복잡도: 242

물리화학적 성질

끓는 점: 339.4 · 339.4±27.0 °C(Predicted)
밀도: 1.2 · 1.20±0.1 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): -1.96 · -1.96±0.10(Predicted)

화학 및 산업

공급사20 곳

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

台州南峰药物研究所[email protected] 18616377689 · [email protected]

Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]

北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]

上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]

화합물 노트

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