AG003RKM

105020-38-0 | Methyl 1-methyl-1H-1,2,3-triazole-5-carboxylate

AG003RKM

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CAS Number	105020-38-0
Catalog Number	AG003RKM(AGN-PC-00NPO5)
Chemical Name	Methyl 1-methyl-1H-1,2,3-triazole-5-carboxylate
IUPAC Name	methyl 3-methyltriazole-4-carboxylate
InChI	InChI=1S/C5H7N3O2/c1-8-4(3-6-7-8)5(9)10-2/h3H,1-2H3
InChI Key	FYMBUAMMFZJMJG-UHFFFAOYSA-N
MDL Number	MFCD16495899
Molecular Formula	C5H7N3O2
Molecular Weight	141.1280
SMILES	O=C(C1=CN=NN1C)OC
Synonyms	105020-38-0, METHYL 1-METHYL-1,2,3-TRIAZOLE-5-CARBOXYLATE, Methyl 1-methyl-1H-1,2,3-triazole-5-carboxylate, 1-METHYL-1H-1,2,3-TRIAZOLE-5-CARBOXYLIC ACID METHYL ESTER, 1H-1,2,3-Triazole-5-carboxylic acid, 1-methyl-, methyl ester, PubChem19255, SCHEMBL1412690, KS-00000BHG, DTXSID50547677, 6902AJ, MFCD16495899, ZINC39087321, methyl 3-methyltriazole-4-carboxylate, AKOS022182395, TRA0061053, AJ-98142, AS-31646, CJ-19734, SY008376, DB-059285, FT-0753708, Methyl1-Methyl-1,2,3-triazole-5-carboxylate, Z-3358, MFCD16495899 (97+%), C5H7N3O2, 1H-1,2,3-Triazole-5-carboxylic acid, 1-methyl-, methyl ester (9CI),

Complexity	139
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	141.054g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	141.13g/mol
Monoisotopic Mass	141.054g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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