2-(2-methylpropanamido)benzoic acid

2-(2-methylpropanamido)benzoic acid

CAS: 17840-96-9

Formula: C11H13NO3

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

IUPAC: 2-(2-methylpropanamido)benzoic acid

InChI: InChI=1S/C11H13NO3/c1-7(2)10(13)12-9-6-4-3-5-8(9)11(14)15/h3-7H,1-2H3,(H,12,13)(H,14,15)

Composition: C (63.76%), H (6.32%), N (6.76%), O (23.16%)

Molar Mass: 207.229

Atom Count: 28

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	207.089543283
Formal Charge	0
FSP3	0.27
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	MDNWGZNJNJKROK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.38
Topological Polar Surface Area	66.4
Polarizability	21.24
Ring Count	1
Rotatable Bond Count	3

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OTAVA LTD.

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