AG003JIC

16681-70-2 | 1H-1,2,3-Triazole-5-carboxylic acid

AG003JIC

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CAS Number	16681-70-2
Catalog Number	AG003JIC(AGN-PC-0O4QIS)
Chemical Name	1H-1,2,3-Triazole-5-carboxylic acid
IUPAC Name	2H-triazole-4-carboxylic acid
InChI	InChI=1S/C3H3N3O2/c7-3(8)2-1-4-6-5-2/h1H,(H,7,8)(H,4,5,6)
InChI Key	GTODOEDLCNTSLG-UHFFFAOYSA-N
MDL Number	MFCD00039676
Molecular Formula	C3H3N3O2
Molecular Weight	113.0748
NSC Number	77700
SMILES	N1N=NC(=C1)C(=O)O
Synonyms	16681-70-2, 1H-1,2,3-triazole-4-carboxylic acid, 1H-1,2,3-Triazole-5-carboxylic acid, 2H-1,2,3-triazole-4-carboxylic acid, 1H-[1,2,3]triazole-4-carboxylic acid, 4-Carboxy-1,2,3-triazole, 1,2,3-triazole-4-carboxylic acid, 2H-triazole-4-carboxylic acid, 573714-78-0, 3H-1,2,3-triazole-4-carboxylic acid, 3H-[1,2,3]Triazole-4-carboxylic acid, 5-Carboxy-1,2,3-triazole, GTODOEDLCNTSLG-UHFFFAOYSA-N, NSC77700, Triazole, TRZ10, PubChem13727, triazole-5-carboxylic acid, AC1L3G9Y, SCHEMBL52479, 1,2,3-triazole-4-carboxylic, AC1Q741E, BDBM23258, CTK0H9940, CTK7I6398, DTXSID80168192, KUC106910N, ZINC4876871, ANW-66678, HTS028511, MFCD00196046, MFCD18447688, NSC-77700, 1H-1,2,3-Triazole-5-carboxylicacid, AKOS000525776, AKOS008965817, AKOS015957579, AB01780, BS-3740, CS-W009031, KSC-20-056, MCULE-1013254576, NE10949, RP17960, TRA0049968, VZ34132, KS-0000000Y, AJ-76884, AK-28855, SC-14701, SY023455, 1H-1,2,3-Triazole-5-carboxylic acid #, AB0065683, DB-025527, ST2403517, TC-155423, TL8001283, TL8007108, TR-007212, 4CH-003493, BB 0252158, FT-0645905, ST50336517, Y1161, EN300-31998, L-2799, W-6323, MFCD00196046 (97+%), 166T702, 681T702, A810775, 1H-1,2,3-Triazole-4-carboxylic acid, AldrichCPR, 1H-1,2,3-Triazole-5-carboxylic acid, AldrichCPR, I04-5480, J-504636, F2196-0070, F8888-1078, Z1814381620, C3H3N3O2, CID140120, N/A,

Complexity	105
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	113.023g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	113.076g/mol
Monoisotopic Mass	113.023g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	78.9A^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-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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