2-(7-methoxynaphthalen-1-yl)acetonitrile

2-(7-methoxynaphthalen-1-yl)acetonitrile

CAS: 138113-08-3

Formula: C13H11NO

SMILES: COC1=CC=C2C=CC=C(CC#N)C2=C1

IUPAC: 2-(7-methoxynaphthalen-1-yl)acetonitrile

InChI: InChI=1S/C13H11NO/c1-15-12-6-5-10-3-2-4-11(7-8-14)13(10)9-12/h2-6,9H,7H2,1H3

Composition: C (79.17%), H (5.62%), N (7.10%), O (8.11%)

Molar Mass: 197.237

Atom Count: 26

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	197.084063978
Formal Charge	0
FSP3	0.15
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	PYJMGUQHJINLLD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.26
Topological Polar Surface Area	33.02
Polarizability	23.93
Ring Count	2
Rotatable Bond Count	2

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