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1-nitropropan-2-one

1-nitropropan-2-one

CAS: 10230-68-9

Formula: C3H5NO3

SMILES: CC(=O)C[N+]([O-])=O

IUPAC: 1-nitropropan-2-one

InChI: InChI=1S/C3H5NO3/c1-3(5)2-4(6)7/h2H2,1H3

Composition: C (34.96%), H (4.89%), N (13.59%), O (46.56%)

Molar Mass: 103.077

Atom Count: 12

Heavy Atom Count: 7

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 103.026943025
Formal Charge 0
FSP3 0.67
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey QCDJOJKIHZQJGX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 21.22
Topological Polar Surface Area 60.21
Polarizability 8.42
Ring Count 0
Rotatable Bond Count 2

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