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3-(2-methylfuran-3-amido)benzoic acid

3-(2-methylfuran-3-amido)benzoic acid

CAS: 298686-55-2

Formula: C13H11NO4

SMILES: CC1=C(C=CO1)C(=O)NC1=CC(=CC=C1)C(O)=O

IUPAC: 3-(2-methylfuran-3-amido)benzoic acid

InChI: InChI=1S/C13H11NO4/c1-8-11(5-6-18-8)12(15)14-10-4-2-3-9(7-10)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17)

Composition: C (63.67%), H (4.52%), N (5.71%), O (26.10%)

Molar Mass: 245.234

Atom Count: 29

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 245.068807838
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey ROJXTCDVXKNYKB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.51
Topological Polar Surface Area 79.54
Polarizability 23.95
Ring Count 2
Rotatable Bond Count 3

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