CAS: 193151-11-0
Nombre: methyl 3-(3-cyanophenyl)propanoate
SMILES:
COC(=O)CCC1=CC(=CC=C1)C#NMolecular Processing
Molecular formula
C11H11NO2
Molecular weight
189.21
Exact mass
189.079
XLogP
1.66
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
14
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
0.273
Molar refractivity
51.49
Supplementary Information
InChIKey: YPAZQTSKIDBDAQ-UHFFFAOYSA-N
Sinónimos
METHYL 3-(3-CYANOPHENYL)PROPANOATE193151-11-0SCHEMBL3926844DTXSID50604214YPAZQTSKIDBDAQ-UHFFFAOYSA-N3-(3-Cyano-phenyl)-propionic acid methyl ester
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