(2E)-3-(4-cyanophenyl)prop-2-enoic acid

(2E)-3-(4-cyanophenyl)prop-2-enoic acid

CAS: 16642-94-7

Formula: C10H7NO2

SMILES: OC(=O)C=CC1=CC=C(C=C1)C#N

IUPAC: (2E)-3-(4-cyanophenyl)prop-2-enoic acid

InChI: InChI=1S/C10H7NO2/c11-7-9-3-1-8(2-4-9)5-6-10(12)13/h1-6H,(H,12,13)/b6-5+

Composition: C (69.36%), H (4.07%), N (8.09%), O (18.48%)

Molar Mass: 173.171

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	173.047678469
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	USVZQKYCNGNRBV-AATRIKPKSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.78
Topological Polar Surface Area	61.09
Polarizability	17.95
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
99.67%	<7 Days	16642-94-7		$51.43-$204.77$51.43$88.83$204.77

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98%	<5 Days	16642-94-7		$22.70-$404.78$22.70$105.92$404.78