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14445-80-8 | 2H-Pyrrol-2-one, 5-(hydroxyamino)-, oxime
CAS No: 14445-80-8 Catalog No: AG001JK4 MDL No:
Product Description
Catalog Number:
AG001JK4
Chemical Name:
2H-Pyrrol-2-one, 5-(hydroxyamino)-, oxime
CAS Number:
14445-80-8
Molecular Formula:
C4H5N3O2
Molecular Weight:
127.1014
IUPAC Name:
N-(5-nitroso-1H-pyrrol-2-yl)hydroxylamine
InChI:
InChI=1S/C4H5N3O2/c8-6-3-1-2-4(5-3)7-9/h1-2,5-6,8H
InChI Key:
VRUJYDPGLVATPG-UHFFFAOYSA-N
SMILES:
ONC1=NC(=NO)C=C1
Properties
Complexity:
108
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:
3
Isotope Atom Count:
0
Molecular Weight:
127.103g/mol
Monoisotopic Mass:
127.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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