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3'-methylphthalanilic acid

3'-methylphthalanilic acid

CAS: 85-72-3

Formula: C15H13NO3

SMILES: CC1=CC=CC(NC(=O)C2=C(C=CC=C2)C(O)=O)=C1

IUPAC: 2-[(3-methylphenyl)carbamoyl]benzoic acid

InChI: InChI=1S/C15H13NO3/c1-10-5-4-6-11(9-10)16-14(17)12-7-2-3-8-13(12)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19)

Composition: C (70.58%), H (5.13%), N (5.49%), O (18.80%)

Molar Mass: 255.273

Atom Count: 32

Heavy Atom Count: 19

Properties
Properties
Common Names 3'-methylphthalanilic acid
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 255.089543283
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey AZPJXONNBLOZFE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.89
Topological Polar Surface Area 66.4
Polarizability 27.03
Ring Count 2
Rotatable Bond Count 3

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