methyl 3-hydroxy-6-methyl-2,4-dinitrobenzoate

methyl 3-hydroxy-6-methyl-2,4-dinitrobenzoate

Formula: C9H8N2O7

SMILES: COC(=O)C1=C(C(O)=C(C=C1C)[N+]([O-])=O)[N+]([O-])=O

IUPAC: methyl 3-hydroxy-6-methyl-2,4-dinitrobenzoate

InChI: InChI=1S/C9H8N2O7/c1-4-3-5(10(14)15)8(12)7(11(16)17)6(4)9(13)18-2/h3,12H,1-2H3

Composition: C (42.20%), H (3.15%), N (10.94%), O (43.72%)

Molar Mass: 256.17

Atom Count: 26

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	256.033150606
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	SCMFZKPHAFGKSN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.75
Topological Polar Surface Area	132.81
Polarizability	21.22
Ring Count	1
Rotatable Bond Count	4

Suppliers

Chemcia Scientific, LLC

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<2 Days	C9H8N2O7		$304.75-$1,408.75$304.75$454.25$1,408.75