3-(2-cyanoacetamido)benzoic acid

3-(2-cyanoacetamido)benzoic acid

Formula: C10H8N2O3

SMILES: OC(=O)C1=CC(NC(=O)CC#N)=CC=C1

IUPAC: 3-(2-cyanoacetamido)benzoic acid

InChI: InChI=1S/C10H8N2O3/c11-5-4-9(13)12-8-3-1-2-7(6-8)10(14)15/h1-3,6H,4H2,(H,12,13)(H,14,15)

Composition: C (58.82%), H (3.95%), N (13.72%), O (23.51%)

Molar Mass: 204.185

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	204.053492126
Formal Charge	0
FSP3	0.1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	WWKXOBNWVCCMHY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.5
Topological Polar Surface Area	90.19
Polarizability	19.29
Ring Count	1
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C10H8N2O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00