5-methoxy-4-methyl-2-nitrobenzoic acid

5-methoxy-4-methyl-2-nitrobenzoic acid

CAS: 857599-32-7

Formula: C9H9NO5

SMILES: COC1=CC(C(O)=O)=C(C=C1C)[N+]([O-])=O

IUPAC: 5-methoxy-4-methyl-2-nitrobenzoic acid

InChI: InChI=1S/C9H9NO5/c1-5-3-7(10(13)14)6(9(11)12)4-8(5)15-2/h3-4H,1-2H3,(H,11,12)

Composition: C (51.19%), H (4.30%), N (6.63%), O (37.88%)

Molar Mass: 211.173

Atom Count: 24

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	211.048072394
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	FDHLDEIOCGPPFW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.14
Topological Polar Surface Area	89.67
Polarizability	18.96
Ring Count	1
Rotatable Bond Count	3

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