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2-ethoxy-6-methylbenzonitrile

2-ethoxy-6-methylbenzonitrile

CAS: 90259-38-4

Formula: C10H11NO

SMILES: CCOC1=CC=CC(C)=C1C#N

IUPAC: 2-ethoxy-6-methylbenzonitrile

InChI: InChI=1S/C10H11NO/c1-3-12-10-6-4-5-8(2)9(10)7-11/h4-6H,3H2,1-2H3

Composition: C (74.51%), H (6.88%), N (8.69%), O (9.92%)

Molar Mass: 161.204

Atom Count: 23

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 161.084063978
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey MSGNGIOHWFNNOD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.03
Topological Polar Surface Area 33.02
Polarizability 18.29
Ring Count 1
Rotatable Bond Count 2

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