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5-methoxy-4-[(4-methoxyphenyl)methoxy]-2-nitrobenzoic acid

5-methoxy-4-[(4-methoxyphenyl)methoxy]-2-nitrobenzoic acid

CAS: 1643979-88-7

Formula: C16H15NO7

SMILES: COC1=CC=C(COC2=CC(=C(C=C2OC)C(O)=O)[N+]([O-])=O)C=C1

IUPAC: 5-methoxy-4-[(4-methoxyphenyl)methoxy]-2-nitrobenzoic acid

InChI: InChI=1S/C16H15NO7/c1-22-11-5-3-10(4-6-11)9-24-15-8-13(17(20)21)12(16(18)19)7-14(15)23-2/h3-8H,9H2,1-2H3,(H,18,19)

Composition: C (57.66%), H (4.54%), N (4.20%), O (33.60%)

Molar Mass: 333.296

Atom Count: 39

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 333.084851827
Formal Charge 0
FSP3 0.19
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 1
InChIKey HIVYTFMZOHFGAN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 83.64
Topological Polar Surface Area 108.13
Polarizability 31.78
Ring Count 2
Rotatable Bond Count 7

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