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304655-78-5 | 1H-1,2,4-Triazole-3-carboxylic acid, 5-amino-, hydrate (1:1)
CAS No: 304655-78-5 Catalog No: AG00307M MDL No:
Product Description
Catalog Number:
AG00307M
Chemical Name:
1H-1,2,4-Triazole-3-carboxylic acid, 5-amino-, hydrate (1:1)
CAS Number:
304655-78-5
Molecular Formula:
C3H6N4O3
Molecular Weight:
146.1047
IUPAC Name:
3-amino-1H-1,2,4-triazole-5-carboxylic acid;hydrate
InChI:
InChI=1S/C3H4N4O2.H2O/c4-3-5-1(2(8)9)6-7-3;/h(H,8,9)(H3,4,5,6,7);1H2
InChI Key:
AGJCUQSNRFXRDU-UHFFFAOYSA-N
SMILES:
OC(=O)c1n[nH]c(n1)N.O
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.044g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
146.106g/mol
Monoisotopic Mass:
146.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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