2-butanamidobenzoic acid

2-butanamidobenzoic acid

CAS: 6328-94-5

Formula: C11H13NO3

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

IUPAC: 2-butanamidobenzoic acid

InChI: InChI=1S/C11H13NO3/c1-2-5-10(13)12-9-7-4-3-6-8(9)11(14)15/h3-4,6-7H,2,5H2,1H3,(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	DTHMYEZSBFMJEA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.41
Topological Polar Surface Area	66.4
Polarizability	21.24
Ring Count	1
Rotatable Bond Count	4

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95%	<4 Days	6328-94-5		$58.65-$232.30$58.65$232.30