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71412-13-0 | Pyrazolone,aminodihydro- (9CI)
CAS No: 71412-13-0 Catalog No: AG005IRK MDL No:
Product Description
Catalog Number:
AG005IRK
Chemical Name:
Pyrazolone,aminodihydro- (9CI)
CAS Number:
71412-13-0
Molecular Formula:
C3H5N3O
Molecular Weight:
99.0913
IUPAC Name:
2-amino-1H-pyrazol-5-one
InChI:
InChI=1S/C3H5N3O/c4-6-2-1-3(7)5-6/h1-2H,4H2,(H,5,7)
InChI Key:
XIHMGRFTGMUSPL-UHFFFAOYSA-N
SMILES:
Nn1ccc(=O)[nH]1
EC Number:
275-420-2
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
99.043g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
99.093g/mol
Monoisotopic Mass:
99.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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