COC(=O)C1=CC=CC(=C1)CC#N
CAS: 68432-92-8
Nombre: methyl 3-(cyanomethyl)benzoate
SMILES: COC(=O)C1=CC=CC(=C1)CC#N

Molecular Processing

Molecular formula
C10H9NO2
Molecular weight
175.19
Exact mass
175.0633
XLogP
1.54
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
47.1

Supplementary Information

InChIKey: XSNUGLQVCGENEM-UHFFFAOYSA-N
Sinónimos
Methyl 3-(cyanomethyl)benzoateDTXSID40445310RefChem:1089387DTXCID4039613168432-92-8methyl 3-(cyanomethyl) benzoateMFCD07783720methyl 3-cyanomethylbenzoate3-(Cyanomethyl)benzoic acid methyl estermethyl3-(cyanomethyl)benzoate3-cyanomethylbenzoic acid methyl esterBenzoic acid, 3-(cyanomethyl)-, methyl ester3-cyanomethyl-benzoic acid methyl estermethyl-3-cyanomethylbenzoateSCHEMBL40562Methyl 3-cyanomethyl-benzoatemethyl-3-(cyanomethyl)benzoateSCHEMBL29539688(3-methoxycarbonylphenyl)acetonitrileCL9412SBB027175STL433099AKOS005259858CS-W019398FC70223GS-3360SY010722ST4150460EN300-119875F791594
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