CC(=O)OC1=C(C=CN=C1)CCCCOC
CAS: 865156-79-2
Nom: [4-(4-methoxybutyl)-3-pyridinyl] acetate
SMILES: CC(=O)OC1=C(C=CN=C1)CCCCOC

Molecular Processing

Molecular formula
C12H17NO3
Molecular weight
223.27
Exact mass
223.1208
XLogP
1.98
TPSA
48.42
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
60.36

Supplementary Information

InChIKey: AXWYKPQRKWLWGD-UHFFFAOYSA-N
Synonymes
SCHEMBL1051247AXWYKPQRKWLWGD-UHFFFAOYSA-NDB-099473acetic acid 4-(4-methoxy-butyl)-pyridin-3-yl ester865156-79-2
Voir la source →
Impliqué dans 6 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→