4,4-dimethyl-5-nitropentan-2-one

4,4-dimethyl-5-nitropentan-2-one

CAS: 35223-73-5

Formula: C7H13NO3

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

IUPAC: 4,4-dimethyl-5-nitropentan-2-one

InChI: InChI=1S/C7H13NO3/c1-6(9)4-7(2,3)5-8(10)11/h4-5H2,1-3H3

Composition: C (52.82%), H (8.23%), N (8.80%), O (30.15%)

Molar Mass: 159.185

Atom Count: 24

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	159.089543283
Formal Charge	0
FSP3	0.86
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	HKYNUYYAUZSEKP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.54
Topological Polar Surface Area	60.21
Polarizability	15.66
Ring Count	0
Rotatable Bond Count	4

Suppliers

Key Organics Ltd

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	35223-73-5		$341.95-$1,800.44$341.95$341.95$518.94$518.94$1,800.44$1,800.44