C1C(=O)CO1
CAS: 6704-31-0
Name: oxetan-3-one
SMILES: C1C(=O)CO1

Molecular Processing

Molecular formula
C3H4O2
Molecular weight
72.06
Exact mass
72.0211
XLogP
-0.41
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
5
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
15.83

Supplementary Information

InChIKey: ROADCYAOHVSOLQ-UHFFFAOYSA-N
Synonyme
3-oxetanoneOxetan-3-one6704-31-0TGB3B74HZPDTXSID80567101RefChem:95204DTXCID50517875664-396-21,3-Epoxy-2-propanoneMFCD09263255oxentan-3-onC3H4O22-Propanone, 1,3-epoxy-CHEMBL47796603-oxooxetaneoxetane-3-oneoxetan-3-onUNII-TGB3B74HZPSCHEMBL17043orb2940049SCHEMBL3370761ROADCYAOHVSOLQ-UHFFFAOYSA-NCS-M1912STR08949BDBM50551697TYD-00530AKOS005259076PB20352HY-76440SY003915
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