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4-methyl-3-(oxolane-2-amido)benzoic acid

4-methyl-3-(oxolane-2-amido)benzoic acid

CAS: 669704-14-7

Formula: C13H15NO4

SMILES: CC1=CC=C(C=C1NC(=O)C1CCCO1)C(O)=O

IUPAC: 4-methyl-3-(oxolane-2-amido)benzoic acid

InChI: InChI=1/C13H15NO4/c1-8-4-5-9(13(16)17)7-10(8)14-12(15)11-3-2-6-18-11/h4-5,7,11H,2-3,6H2,1H3,(H,14,15)(H,16,17)

Composition: C (62.64%), H (6.07%), N (5.62%), O (25.67%)

Molar Mass: 249.266

Atom Count: 33

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 249.100107967
Formal Charge 0
FSP3 0.38
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey GKSYTSXHEUFQLG-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.96
Topological Polar Surface Area 75.63
Polarizability 24.84
Ring Count 2
Rotatable Bond Count 3

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