2-hydroxy-4-methoxy-5-nitrobenzoic acid

2-hydroxy-4-methoxy-5-nitrobenzoic acid

CAS: 723284-11-5

Formula: C8H7NO6

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

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

InChI: InChI=1S/C8H7NO6/c1-15-7-3-6(10)4(8(11)12)2-5(7)9(13)14/h2-3,10H,1H3,(H,11,12)

Composition: C (45.08%), H (3.31%), N (6.57%), O (45.04%)

Molar Mass: 213.145

Atom Count: 22

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	213.027336949
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	SGJMZHXWMUSUBE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.08
Topological Polar Surface Area	109.9
Polarizability	17.92
Ring Count	1
Rotatable Bond Count	3

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