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101252-32-8 | 1H-1,2,3-Triazole-5-carboxylic acid, 4-(aminocarbonyl)-
CAS No: 101252-32-8 Catalog No: AG00042J MDL No:
Product Description
Catalog Number:
AG00042J
Chemical Name:
1H-1,2,3-Triazole-5-carboxylic acid, 4-(aminocarbonyl)-
CAS Number:
101252-32-8
Molecular Formula:
C4H4N4O3
Molecular Weight:
156.0996
IUPAC Name:
5-carbamoyl-2H-triazole-4-carboxylic acid
InChI:
InChI=1S/C4H4N4O3/c5-3(9)1-2(4(10)11)7-8-6-1/h(H2,5,9)(H,10,11)(H,6,7,8)
InChI Key:
ZVXDDRXSNVZAEO-UHFFFAOYSA-N
SMILES:
NC(=O)c1nn[nH]c1C(=O)O
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.028g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
156.101g/mol
Monoisotopic Mass:
156.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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