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90293-76-8 | 3H-Pyrazol-3-one, 4-amino-1,2-dihydro-
CAS No: 90293-76-8 Catalog No: AG006GLU MDL No:MFCD07783082
Product Description
Catalog Number:
AG006GLU
Chemical Name:
3H-Pyrazol-3-one, 4-amino-1,2-dihydro-
CAS Number:
90293-76-8
Molecular Formula:
C3H5N3O
Molecular Weight:
99.0913
MDL Number:
MFCD07783082
IUPAC Name:
4-amino-1,2-dihydropyrazol-3-one
InChI:
InChI=1S/C3H5N3O/c4-2-1-5-6-3(2)7/h1H,4H2,(H2,5,6,7)
InChI Key:
NATMWGYJBMRROQ-UHFFFAOYSA-N
SMILES:
O=c1[nH][nH]cc1N
Properties
Complexity:
128
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:
3
Isotope Atom Count:
0
Molecular Weight:
99.093g/mol
Monoisotopic Mass:
99.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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