AG005G94

716361-91-0 | 1-Methyl-1H-1,2,3-triazole-5-carboxylic acid

AG005G94

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CAS Number	716361-91-0
Catalog Number	AG005G94(AGN-PC-02W5HV)
Chemical Name	1-Methyl-1H-1,2,3-triazole-5-carboxylic acid
IUPAC Name	3-methyltriazole-4-carboxylic acid
InChI	InChI=1S/C4H5N3O2/c1-7-3(4(8)9)2-5-6-7/h2H,1H3,(H,8,9)
InChI Key	LQNKEDJEXCZEBP-UHFFFAOYSA-N
MDL Number	MFCD10696347
Molecular Formula	C4H5N3O2
Molecular Weight	127.1014
SMILES	O=C(C1=CN=NN1C)O
Synonyms	1-Methyl-1H-1,2,3-triazole-5-carboxylic acid, 716361-91-0, 3-methyl-3H-1,2,3-triazole-4-carboxylic acid, SCHEMBL263100, CTK8C4989, KS-00000PKH, DTXSID00608909, LQNKEDJEXCZEBP-UHFFFAOYSA-N, 3-methyltriazole-4-carboxylic acid, ANW-73691, MFCD10696347, RW4018, ZINC62298114, AKOS006283437, AB57108, CS-W003953, MP-1645, QC-3681, AK-31403, DA-17122, DS-11990, AB0065684, AJ-114115, TC-162436, 4CH-011254, FT-0741615, ST24021336, Z5066, 1H-1,2,3-Triazole-5-carboxylic acid, 1-methyl-, F8887-7501, Z1741981211, C4H5N3O2, 1H-1,2,3-Triazole-5-carboxylicacid,1-methyl-,

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

Certificate of Analysis

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