2-(2-carboxycyclopropaneamido)-3-methylbenzoic acid

2-(2-carboxycyclopropaneamido)-3-methylbenzoic acid

CAS: 1022401-28-0

Formula: C13H13NO5

SMILES: CC1=CC=CC(C(O)=O)=C1NC(=O)C1CC1C(O)=O

IUPAC: 2-(2-carboxycyclopropaneamido)-3-methylbenzoic acid

InChI: InChI=1/C13H13NO5/c1-6-3-2-4-7(12(16)17)10(6)14-11(15)8-5-9(8)13(18)19/h2-4,8-9H,5H2,1H3,(H,14,15)(H,16,17)(H,18,19)

Composition: C (59.31%), H (4.98%), N (5.32%), O (30.39%)

Molar Mass: 263.249

Atom Count: 32

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	263.079372523
Formal Charge	0
FSP3	0.31
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	QTRSAWWYGGBDAR-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.86
Topological Polar Surface Area	103.7
Polarizability	24.74
Ring Count	2
Rotatable Bond Count	4

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90%	<2 Days	1022401-28-0		$51.35-$86.31$51.35$63.37$86.31