Cas no 54370-04-6 (sodiuM 3,5-diMethyl-1H-pyrrole-2-carboxylate)
54370-04-6 structure
Product Name:sodiuM 3,5-diMethyl-1H-pyrrole-2-carboxylate
CAS No:54370-04-6
MF:C7H8NNaO2
MW:161.133692741394
CID:354794
Update Time:2023-03-30
sodiuM 3,5-diMethyl-1H-pyrrole-2-carboxylate Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrrole-2-carboxylic acid, 3,5-dimethyl-, monosodium salt
- sodiuM 3,5-diMethyl-1H-pyrrole-2-carboxylate
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- Inchi： 1S/C7H9NO2.Na/c1-4-3-5(2)8-6(4)7(9)10;/h3,8H,1-2H3,(H,9,10);/q;+1/p-1
- InChI Key： WMOIUNVOVMNFLS-UHFFFAOYSA-M
- SMILES： [Na+].N1C(C)=CC(C)=C1C([O-])=O
Computed Properties
- Exact Mass: 162.053
- Monoisotopic Mass: 162.053
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 147
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
sodiuM 3,5-diMethyl-1H-pyrrole-2-carboxylate Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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