1-nitropropane

1-nitropropane

CAS: 108-03-2

Formula: C3H7NO2

SMILES: CCC[N+]([O-])=O

IUPAC: 1-nitropropane

InChI: InChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3

Composition: C (40.44%), H (7.92%), N (15.72%), O (35.91%)

Molar Mass: 89.094

Atom Count: 13

Heavy Atom Count: 6

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	89.047678469
Formal Charge	0
FSP3	1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	JSZOAYXJRCEYSX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	20.86
Topological Polar Surface Area	43.14
Polarizability	8.23
Ring Count	0
Rotatable Bond Count	2

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