3-(3,3-dimethylbutanamido)benzoic acid

3-(3,3-dimethylbutanamido)benzoic acid

CAS: 915923-42-1

Formula: C13H17NO3

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

IUPAC: 3-(3,3-dimethylbutanamido)benzoic acid

InChI: InChI=1S/C13H17NO3/c1-13(2,3)8-11(15)14-10-6-4-5-9(7-10)12(16)17/h4-7H,8H2,1-3H3,(H,14,15)(H,16,17)

Composition: C (66.36%), H (7.28%), N (5.95%), O (20.40%)

Molar Mass: 235.283

Atom Count: 34

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	235.120843411
Formal Charge	0
FSP3	0.38
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	FLPJVCYHCRNXQX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.43
Topological Polar Surface Area	66.4
Polarizability	24.91
Ring Count	1
Rotatable Bond Count	4

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