AG007WIK

16681-71-3 | 1-Methyl-1H-1,2,3-triazole-4-carboxylic acid

AG007WIK

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CAS Number	16681-71-3
Catalog Number	AG007WIK(AGN-PC-03FATP)
Chemical Name	1-Methyl-1H-1,2,3-triazole-4-carboxylic acid
IUPAC Name	1-methyltriazole-4-carboxylic acid
InChI	InChI=1S/C4H5N3O2/c1-7-2-3(4(8)9)5-6-7/h2H,1H3,(H,8,9)
InChI Key	SBUXBHALPHVDFT-UHFFFAOYSA-N
MDL Number	MFCD08689473
Molecular Formula	C4H5N3O2
Molecular Weight	127.1014
SMILES	CN1C=C(N=N1)C(O)=O
Synonyms	1-methyl-1H-1,2,3-triazole-4-carboxylic acid, 16681-71-3, CHEMBL2071032, SBUXBHALPHVDFT-UHFFFAOYSA-N, 1-Methyl-1H-[1,2,3]triazole-4-carboxylic acid, 1-methyl-1,2,3-triazole-4-carboxylic acid, SCHEMBL835251, CTK4D2459, DTXSID90617803, 1-methyltriazole-4-carboxylic acid, 8495AA, ANW-68035, BDBM50390945, MFCD08689473, SBB027235, STK661706, ZINC20446453, AKOS000272016, AB48246, CS-W004166, MCULE-4712753107, AJ-77750, BS-11065, DA-09502, SC-47898, ST4148454, TC-156780, BB 0241793, FT-0728653, 1-Methyl -1,2,3-triazole-4-carboxylic acid, L-2304, F2166-0002, Z1954804726, 1-Methyl-1H-1,2,3-triazole-4-carboxylic acid, AldrichCPR, C4H5N3O2,

Complexity	127
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	127.038g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	127.103g/mol
Monoisotopic Mass	127.038g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	68A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.5

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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