4-{[(furan-2-ylmethyl)amino]methyl}benzoic acid

4-{[(furan-2-ylmethyl)amino]methyl}benzoic acid

Formula: C13H13NO3

SMILES: OC(=O)C1=CC=C(CNCC2=CC=CO2)C=C1

IUPAC: 4-({[(furan-2-yl)methyl]amino}methyl)benzoic acid

InChI: InChI=1S/C13H13NO3/c15-13(16)11-5-3-10(4-6-11)8-14-9-12-2-1-7-17-12/h1-7,14H,8-9H2,(H,15,16)

Composition: C (67.52%), H (5.67%), N (6.06%), O (20.76%)

Molar Mass: 231.251

Atom Count: 30

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	231.089543283
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	PNWVLGNZUWAWMN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.57
Topological Polar Surface Area	62.47
Polarizability	24.32
Ring Count	2
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H13NO3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00