2-methyl-2-nitropropane-1,3-diol

2-methyl-2-nitropropane-1,3-diol

CAS: 77-49-6

Formula: C4H9NO4

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

IUPAC: 2-methyl-2-nitropropane-1,3-diol

InChI: InChI=1S/C4H9NO4/c1-4(2-6,3-7)5(8)9/h6-7H,2-3H2,1H3

Composition: C (35.56%), H (6.71%), N (10.37%), O (47.36%)

Molar Mass: 135.119

Atom Count: 18

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	135.053157774
Formal Charge	0
FSP3	1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	LOTYADDQWWVBDJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	28.48
Topological Polar Surface Area	83.6
Polarizability	11.46
Ring Count	0
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	CAS		UnitPrice
98%	<14 Days	77-49-6		Quote Only

AA BLOCKS INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<6 Days	77-49-6		$13.80-$371.45$13.80$44.85$139.15$371.45

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	77-49-6		$16.56-$459.54$16.56$55.89$169.74$459.54

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	77-49-6		$17.65-$482.96$17.65$58.01$181.58$482.96