Propan-2-one--water (1/1)
Basic information
- CAS
18879-06-6- Standard SMILES
CC(C)=O.O- InChIKey
OVARTBFNCCXQKS-UHFFFAOYSA-N- Molecular formula
- C3H8O2
- Average molar mass
- 76.09 g/mol
- Monoisotopic mass
- 76.0524295
Names & identifiers
- Preferred name
- Propan-2-one--water (1/1)
- IUPAC
- propan-2-one;hydrate
Names & synonyms
18879-06-6Propan-2-one--water (1/1)DTXSID80593162RefChem:373911DTXCID40543926acetone wateracetone-waterwater acetonewater-acetoneaceton waterwater acetonacetone H2O
Show more names
H2O acetoneCH3COCH3 H2OSCHEMBL362166OVARTBFNCCXQKS-UHFFFAOYSA-N
Database identifiers
- CAS
18879-06-6- PubChem CID
- 18366337
- DTXSID
DTXSID80593162
Properties
Computed structural properties
- Topological polar surface area
- 18.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 26.3
Related reactions
532 records
Compound notes
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