2-methyl-2-nitropentan-3-ol

2-methyl-2-nitropentan-3-ol

CAS: 20570-67-6

Formula: C6H13NO3

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

IUPAC: 2-methyl-2-nitropentan-3-ol

InChI: InChI=1/C6H13NO3/c1-4-5(8)6(2,3)7(9)10/h5,8H,4H2,1-3H3

Composition: C (48.97%), H (8.90%), N (9.52%), O (32.61%)

Molar Mass: 147.174

Atom Count: 23

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	147.089543283
Formal Charge	0
FSP3	1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	XGIVOZBEDLLCCO-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.88
Topological Polar Surface Area	63.37
Polarizability	14.38
Ring Count	0
Rotatable Bond Count	3

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