2-(7-methoxy-3,4-dihydronaphthalen-1-yl)acetonitrile

2-(7-methoxy-3,4-dihydronaphthalen-1-yl)acetonitrile

CAS: 861960-34-1

Formula: C13H13NO

SMILES: COC1=CC2=C(CCC=C2CC#N)C=C1

IUPAC: 2-(7-methoxy-3,4-dihydronaphthalen-1-yl)acetonitrile

InChI: InChI=1S/C13H13NO/c1-15-12-6-5-10-3-2-4-11(7-8-14)13(10)9-12/h4-6,9H,2-3,7H2,1H3

Composition: C (78.36%), H (6.58%), N (7.03%), O (8.03%)

Molar Mass: 199.253

Atom Count: 28

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	199.099714043
Formal Charge	0
FSP3	0.31
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	MGJHVZKRAOYORH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.65
Topological Polar Surface Area	33.02
Polarizability	22.69
Ring Count	2
Rotatable Bond Count	2

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