4-{5-[(1E)-2-cyano-2-(methylcarbamoyl)eth-1-en-1-yl]furan-2-yl}-3-methylbenzoic acid

4-{5-[(1E)-2-cyano-2-(methylcarbamoyl)eth-1-en-1-yl]furan-2-yl}-3-methylbenzoic acid

Formula: C17H14N2O4

SMILES: CNC(=O)C(=CC1=CC=C(O1)C1=CC=C(C=C1C)C(O)=O)C#N

IUPAC: 4-{5-[(1E)-2-cyano-2-(methylcarbamoyl)eth-1-en-1-yl]furan-2-yl}-3-methylbenzoic acid

InChI: InChI=1S/C17H14N2O4/c1-10-7-11(17(21)22)3-5-14(10)15-6-4-13(23-15)8-12(9-18)16(20)19-2/h3-8H,1-2H3,(H,19,20)(H,21,22)/b12-8+

Composition: C (65.80%), H (4.55%), N (9.03%), O (20.62%)

Molar Mass: 310.309

Atom Count: 37

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	310.095356939
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	XOVJZNFEWGVNGC-XYOKQWHBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	84.53
Topological Polar Surface Area	103.33
Polarizability	32.26
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H14N2O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00