3-{4-[(1E)-2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl]phenoxymethyl}benzoic acid

3-{4-[(1E)-2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl]phenoxymethyl}benzoic acid

Formula: C20H17NO5

SMILES: CCOC(=O)C(=CC1=CC=C(OCC2=CC=CC(=C2)C(O)=O)C=C1)C#N

IUPAC: 3-({4-[(1E)-2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl]phenoxy}methyl)benzoic acid

InChI: InChI=1S/C20H17NO5/c1-2-25-20(24)17(12-21)10-14-6-8-18(9-7-14)26-13-15-4-3-5-16(11-15)19(22)23/h3-11H,2,13H2,1H3,(H,22,23)/b17-10+

Composition: C (68.37%), H (4.88%), N (3.99%), O (22.77%)

Molar Mass: 351.358

Atom Count: 43

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	351.110672651
Formal Charge	0
FSP3	0.15
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	CUJHRPAPDIBIJQ-LICLKQGHSA-N
Lipinski's Rule of Five	1
Molar Refractivity	95.96
Topological Polar Surface Area	96.62
Polarizability	36.19
Ring Count	2
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H17NO5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00