COC(=O)C1=CC2=C(C=C1)C=C(C=C2)C#N
CAS: 5088-91-5
Nombre: methyl 6-cyanonaphthalene-2-carboxylate
SMILES: COC(=O)C1=CC2=C(C=C1)C=C(C=C2)C#N

Molecular Processing

Molecular formula
C13H9NO2
Molecular weight
211.22
Exact mass
211.0633
XLogP
2.5
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
60

Supplementary Information

InChIKey: YACGNGQPYPCGOL-UHFFFAOYSA-N
Sinónimos
5088-91-5METHYL 6-CYANONAPHTHALENE-2-CARBOXYLATEmethyl 6-cyano-2-naphthoateMFCD08689891METHYL-6-CYANO NAPHTHALENE-2-CARBOXYLATEmethyl6-cyano-2-naphthoateSCHEMBL5566033DTXSID50498074YACGNGQPYPCGOL-UHFFFAOYSA-NAB3945AKOS022650402AS-44740DB-417626CS-03230246-Cyano-2-naphthalenecarboxylic acid, methyl ester6-cyano-naphthalene-2-carboxylic acid methyl esterF334140A1-30091
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