AG001YTF

17334-09-7 | 1H-​Imidazole-​2-​carboxylic acid, methyl ester

AG001YTF

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CAS Number	17334-09-7
Catalog Number	AG001YTF(AGN-PC-0JSQ1S)
Chemical Name	1H-​Imidazole-​2-​carboxylic acid, methyl ester
IUPAC Name	methyl 1H-imidazole-2-carboxylate
InChI	InChI=1S/C5H6N2O2/c1-9-5(8)4-6-2-3-7-4/h2-3H,1H3,(H,6,7)
InChI Key	JTAQRDQNFANUEK-UHFFFAOYSA-N
MDL Number	MFCD06203842
Molecular Formula	C5H6N2O2
Molecular Weight	126.1133
SMILES	C(=O)(OC)c1ncc[nH]1
Synonyms	Methyl 1H-imidazole-2-carboxylate, 17334-09-7, Methyl 2-Imidazolecarboxylate, 1H-Imidazole-2-carboxylic acid, methyl ester, 1H-IMIDAZOLE-2-CARBOXYLIC ACID METHYL ESTER, JTAQRDQNFANUEK-UHFFFAOYSA-N, Imidazole-2-carboxylic acid, methyl ester, PubChem23680, AC1LC7JW, 2-Methoxycarbonylimidazole, 2-CARBOMETHOXYIMIDAZOLE, SCHEMBL262815, CTK0E4332, DTXSID00338496, ANW-48906, MFCD06203842, RW3100, ZINC22011174, Methyl 1H-imidazole-2-carboxylate #, AKOS006294727, ACN-000840, CS-W005714, PB18713, RD-0196, KS-000000D7, AJ-80464, AK-59662, BR-59662, CJ-17246, DA-16798, DS-16335, SY026818, AB0022843, TC-137651, 4CH-010792, FT-0705810, ST24025136, W3783, S-5864, MFCD06203842 (95+%), J-521765, I14-15843, C5H6N2O2, CID549395, 33543-78-1,

Complexity	116
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	126.043g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	126.115g/mol
Monoisotopic Mass	126.043g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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