CCCCCCCCCC1=CC(=C(C=C1)C(=O)O)OC
Nom: 2-methoxy-4-nonylbenzoic acid
SMILES: CCCCCCCCCC1=CC(=C(C=C1)C(=O)O)OC

Molecular Processing

Molecular formula
C17H26O3
Molecular weight
278.39
Exact mass
278.1882
XLogP
4.69
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
10
Heavy atoms
20
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
0.588
Molar refractivity
81.65

Supplementary Information

InChIKey: VFLOVZUYMXQHJH-UHFFFAOYSA-N
Synonymes
SCHEMBL32985212-Methoxy-4-nonyl benzoic acidVFLOVZUYMXQHJH-UHFFFAOYSA-N
Voir la source →
Impliqué dans 3 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→