Cas no 263382-26-9 (Methyl 5-((hydroxyimino)methyl)-1H-pyrrole-2-carboxylate)
263382-26-9 structure
Product Name:Methyl 5-((hydroxyimino)methyl)-1H-pyrrole-2-carboxylate
CAS No:263382-26-9
MF:C7H8N2O3
MW:168.15002155304
CID:247584
PubChem ID:136326589
Update Time:2025-04-19
Methyl 5-((hydroxyimino)methyl)-1H-pyrrole-2-carboxylate Chemical and Physical Properties
Names and Identifiers
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- Methyl 5-((hydroxyimino)methyl)-1H-pyrrole-2-carboxylate
- 1H-Pyrrole-2-carboxylicacid,5-[(hydroxyimino)methyl]-,methylester(9CI)
- 1H-Pyrrole-2-carboxylicacid, 5-[(hydroxyimino)methyl]-, methyl ester
- methyl 5-[(E)-hydroxyiminomethyl]-1H-pyrrole-2-carboxylate
- 263382-26-9
- methyl 5-[(E)-(hydroxyimino)methyl]-1H-pyrrole-2-carboxylate
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- Inchi： 1S/C7H8N2O3/c1-12-7(10)6-3-2-5(9-6)4-8-11/h2-4,9,11H,1H3/b8-4+
- InChI Key： JIZIJBSUNJFZOM-XBXARRHUSA-N
- SMILES： O(C)C(C1=CC=C(/C=N/O)N1)=O
Computed Properties
- Exact Mass: 168.053
- Monoisotopic Mass: 168.053
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 278
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 70.9A^2
- XLogP3: 0.9
Methyl 5-((hydroxyimino)methyl)-1H-pyrrole-2-carboxylate Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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