3-cyano-4-ethoxybenzoic acid

3-cyano-4-ethoxybenzoic acid

CAS: 258273-32-4

Formula: C10H9NO3

SMILES: CCOC1=CC=C(C=C1C#N)C(O)=O

IUPAC: 3-cyano-4-ethoxybenzoic acid

InChI: InChI=1S/C10H9NO3/c1-2-14-9-4-3-7(10(12)13)5-8(9)6-11/h3-5H,2H2,1H3,(H,12,13)

Composition: C (62.82%), H (4.75%), N (7.33%), O (25.10%)

Molar Mass: 191.186

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	191.058243154
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	PNGOHGRLVRKADR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.25
Topological Polar Surface Area	70.32
Polarizability	18.88
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	258273-32-4		$261.03$261.03