methyl 2-hydroxy-4-methoxy-5-nitrobenzoate

methyl 2-hydroxy-4-methoxy-5-nitrobenzoate

CAS: 723284-34-2

Formula: C9H9NO6

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

IUPAC: methyl 2-hydroxy-4-methoxy-5-nitrobenzoate

InChI: InChI=1S/C9H9NO6/c1-15-8-4-7(11)5(9(12)16-2)3-6(8)10(13)14/h3-4,11H,1-2H3

Composition: C (47.58%), H (3.99%), N (6.17%), O (42.26%)

Molar Mass: 227.172

Atom Count: 25

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	227.042987014
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	OZDKGSVJTFJYOC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.85
Topological Polar Surface Area	98.9
Polarizability	19.95
Ring Count	1
Rotatable Bond Count	4

Suppliers

Kinentia Biosciences LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<14 Days	723284-34-2		$340.20$340.20