2-nitropropan-1-ol

2-nitropropan-1-ol

CAS: 2902-96-7

Formula: C3H7NO3

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

IUPAC: 2-nitropropan-1-ol

InChI: InChI=1/C3H7NO3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3

Composition: C (34.29%), H (6.71%), N (13.33%), O (45.67%)

Molar Mass: 105.093

Atom Count: 14

Heavy Atom Count: 7

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	105.042593089
Formal Charge	0
FSP3	1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	PCNWBUOSTLGPMI-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	22.29
Topological Polar Surface Area	63.37
Polarizability	8.94
Ring Count	0
Rotatable Bond Count	2

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