COC1=CC2=C(C=C1)C(=CC=C2)C#N
CAS: 77029-01-7
Nombre: 6-methoxynaphthalene-1-carbonitrile
SMILES: COC1=CC2=C(C=C1)C(=CC=C2)C#N

Molecular Processing

Molecular formula
C12H9NO
Molecular weight
183.21
Exact mass
183.0684
XLogP
2.72
TPSA
33.02
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
55.22

Supplementary Information

InChIKey: PGQFNNJLLVRLLW-UHFFFAOYSA-N
Sinónimos
77029-01-71-Cyano-6-methoxynaphthalene6-methoxynaphthalene-1-carbonitrile6-methoxy-1-naphthonitrile6-Methoxy-naphthalene-1-carbonitrile1-Naphthalenecarbonitrile, 6-methoxy-1-Naphthalenecarbonitrile,6-methoxy-MFCD077795025-Cyano-2-methoxynaphthaleneSCHEMBL8583508SCHEMBL9939717DTXSID90227840CHEBI:1565066-methoxy-1-naphthalenecarbonitrileAKOS006286865SB38675DA-36949CS-0331104
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