N-[4-(cyanomethyl)phenyl]acetamide

N-[4-(cyanomethyl)phenyl]acetamide

CAS: 25025-06-3

Formula: C10H10N2O

SMILES: CC(=O)NC1=CC=C(CC#N)C=C1

IUPAC: N-[4-(cyanomethyl)phenyl]acetamide

InChI: InChI=1S/C10H10N2O/c1-8(13)12-10-4-2-9(3-5-10)6-7-11/h2-5H,6H2,1H3,(H,12,13)

Composition: C (68.95%), H (5.79%), N (16.08%), O (9.18%)

Molar Mass: 174.203

Atom Count: 23

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	174.07931295
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	SPAOQNOLRMENDZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.21
Topological Polar Surface Area	52.89
Polarizability	18.73
Ring Count	1
Rotatable Bond Count	2

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