Cas no 394658-31-2 (Methyl 1H-pyrazole-3-carboxylate)
394658-31-2 structure
Product Name:Methyl 1H-pyrazole-3-carboxylate
CAS No:394658-31-2
MF:C5H6N2O2
MW:126.1133
CID:4741451
Update Time:2020-09-11
Methyl 1H-pyrazole-3-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 1H-pyrazole-3-carboxylate
- methyl 1h-pyrazole-5-carboxylate
- 1H-Pyrazole-3-carboxylic acid methyl ester
- methyl pyrazole-3-carboxylate
- 2H-Pyrazole-3-carboxylic acid methyl ester
- 3-Methoxycarbonylpyrazole
- 1H-Pyrazole-3-carboxylic acid, methyl ester
- pyrazole-3-carboxylic acid methyl ester
- PubChem14332
- 5-methoxycarbonylpyrazole
- methyl 3-pyrazolecarboxylate
- methylpyrazole-3-carboxylate
- KSC493A2J
- methyl 1H-pyrazol-5-carboxylate
-
- Inchi： 1S/C5H6N2O2/c1-9-5(8)4-2-3-6-7-4/h2-3H,1H3,(H,6,7)
- InChI Key： ORUCTBNNYKZMSK-UHFFFAOYSA-N
- SMILES： O(C([H])([H])[H])C(C1=C([H])C([H])=NN1[H])=O
Computed Properties
- Exact Mass: 126.042927g/mol
- Monoisotopic Mass: 126.042927g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 116
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 55
- Molecular Weight: 126.11g/mol
- XLogP3: 0.4
Methyl 1H-pyrazole-3-carboxylate Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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