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99939-08-9 | 1H-Pyrazole-3-carboxylicacid, 1-amino-
CAS No: 99939-08-9 Catalog No: AG003VOQ MDL No:
Product Description
Catalog Number:
AG003VOQ
Chemical Name:
1H-Pyrazole-3-carboxylicacid, 1-amino-
CAS Number:
99939-08-9
Molecular Formula:
C4H5N3O2
Molecular Weight:
127.1014
IUPAC Name:
1-aminopyrazole-3-carboxylic acid
InChI:
InChI=1S/C4H5N3O2/c5-7-2-1-3(6-7)4(8)9/h1-2H,5H2,(H,8,9)
InChI Key:
XHSUYXNLLXQQPU-UHFFFAOYSA-N
SMILES:
Nn1ccc(n1)C(=O)O
Properties
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:
2
Isotope Atom Count:
0
Molecular Weight:
127.103g/mol
Monoisotopic Mass:
127.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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