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20420-84-2 | 1H-1,2,3-Triazole-4-carboxylic acid, 5-amino-
CAS No: 20420-84-2 Catalog No: AG0029CQ MDL No:
Product Description
Catalog Number:
AG0029CQ
Chemical Name:
1H-1,2,3-Triazole-4-carboxylic acid, 5-amino-
CAS Number:
20420-84-2
Molecular Formula:
C3H4N4O2
Molecular Weight:
128.0895
IUPAC Name:
5-amino-2H-triazole-4-carboxylic acid
InChI:
InChI=1S/C3H4N4O2/c4-2-1(3(8)9)5-7-6-2/h(H,8,9)(H3,4,5,6,7)
InChI Key:
FAZVMYLYCFJYAC-UHFFFAOYSA-N
SMILES:
Nc1c(nn[nH]1)C(=O)O
NSC Number:
127456
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.033g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
128.091g/mol
Monoisotopic Mass:
128.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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