2-methoxy-5-nitrobenzoic acid

2-methoxy-5-nitrobenzoic acid

CAS: 40751-89-1

Formula: C8H7NO5

SMILES: COC1=C(C=C(C=C1)[N+]([O-])=O)C(O)=O

IUPAC: 2-methoxy-5-nitrobenzoic acid

InChI: InChI=1S/C8H7NO5/c1-14-7-3-2-5(9(12)13)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)

Composition: C (48.74%), H (3.58%), N (7.10%), O (40.58%)

Molar Mass: 197.146

Atom Count: 21

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	197.032422329
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	CVZUPRDSNNBZLH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.1
Topological Polar Surface Area	89.67
Polarizability	17.22
Ring Count	1
Rotatable Bond Count	3

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