C=C1C(CO)CC1OC(=O)c1ccccc1
Nom: [3-(hydroxymethyl)-2-methylidenecyclobutyl] benzoate
SMILES: C=C1C(CO)CC1OC(=O)c1ccccc1

Molecular Processing

Molecular formula
C13H14O3
Molecular weight
218.25
Exact mass
218.0943
XLogP
1.78
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
59.98

Supplementary Information

InChIKey: OXGNWVXYQSKUSB-UHFFFAOYSA-N
Synonymes
SCHEMBL9470414OXGNWVXYQSKUSB-UHFFFAOYSA-N1-Benzoyloxy-3-hydroxymethyl-2-methylenecyclobutane
Voir la source →
Impliqué dans 6 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→