3-[4-(2-cyanoacetyl)phenyl]-3-oxopropanenitrile

3-[4-(2-cyanoacetyl)phenyl]-3-oxopropanenitrile

CAS: 4640-70-4

Formula: C12H8N2O2

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

IUPAC: 3-[4-(2-cyanoacetyl)phenyl]-3-oxopropanenitrile

InChI: InChI=1S/C12H8N2O2/c13-7-5-11(15)9-1-2-10(4-3-9)12(16)6-8-14/h1-4H,5-6H2

Composition: C (67.92%), H (3.80%), N (13.20%), O (15.08%)

Molar Mass: 212.208

Atom Count: 24

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	212.058577506
Formal Charge	0
FSP3	0.17
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	UGDGBJUIWOFRND-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.51
Topological Polar Surface Area	81.72
Polarizability	21.19
Ring Count	1
Rotatable Bond Count	4

Suppliers

Struchem co.,ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	4640-70-4		$700.00-$2,970.00$700.00$2,000.00$2,970.00