Basic information
- Standard SMILES
CCCCCC.CCOC(C)=O.O- InChIKey
HELMCUDQQQWAOG-UHFFFAOYSA-N- Molecular formula
- C10H24O3
- Average molar mass
- 192.3 g/mol
- Monoisotopic mass
- 192.17254462
Names & identifiers
- Preferred name
- n-hexane EtOAc water
- IUPAC
- ethyl acetate;hexane;hydrate
Names & synonyms
n-hexane EtOAc waterSCHEMBL28253632HELMCUDQQQWAOG-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 86758607
Properties
Computed structural properties
- Topological polar surface area
- 27.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 61
Related reactions
1 records
Compound notes
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