CC(=O)C.O
CAS: 18879-06-6
Name: propan-2-one;hydrate
SMILES: CC(=O)C.O

Molecular Processing

Molecular formula
C3H8O2
Molecular weight
76.09
Exact mass
76.0524
XLogP
-0.23
TPSA
48.57
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
5
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
2
Fraction Csp3
0.667
Molar refractivity
19.97

Supplementary Information

InChIKey: OVARTBFNCCXQKS-UHFFFAOYSA-N
Synonyme
18879-06-6Propan-2-one--water (1/1)DTXSID80593162RefChem:373911DTXCID40543926acetone wateracetone-waterwater acetonewater-acetoneaceton waterwater acetonacetone H2OH2O acetoneCH3COCH3 H2OSCHEMBL362166OVARTBFNCCXQKS-UHFFFAOYSA-N
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