C1C(C(=O)C1OC(=O)C2=CC=CC=C2)CO
名称: [3-(hydroxymethyl)-2-oxocyclobutyl] benzoate
SMILES: C1C(C(=O)C1OC(=O)C2=CC=CC=C2)CO

Molecular Processing

Molecular formula
C12H12O4
Molecular weight
220.22
Exact mass
220.0736
XLogP
0.79
TPSA
63.6
H-bond donors
1
H-bond acceptors
4
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
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
55.85

Supplementary Information

InChIKey: BLVNNADWLSLGHD-UHFFFAOYSA-N
同義語
SCHEMBL9471486BLVNNADWLSLGHD-UHFFFAOYSA-N2-Benzoyloxy-4-hydroxymethylcyclobutanone
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