2,3-dimethyl-2,3-dinitrobutane

2,3-dimethyl-2,3-dinitrobutane

CAS: 3964-18-9

Formula: C6H12N2O4

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

IUPAC: 2,3-dimethyl-2,3-dinitrobutane

InChI: InChI=1S/C6H12N2O4/c1-5(2,7(9)10)6(3,4)8(11)12/h1-4H3

Composition: C (40.91%), H (6.87%), N (15.90%), O (36.33%)

Molar Mass: 176.172

Atom Count: 24

Heavy Atom Count: 12

Properties

Properties

Common Names	dmdnb
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	176.079706874
Formal Charge	0
FSP3	1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	DWCLXOREGBLXTD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.31
Topological Polar Surface Area	86.28
Polarizability	15.77
Ring Count	0
Rotatable Bond Count	3

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