Basic information
- CAS
59742-70-0- Standard SMILES
OCC=CC(O)CCCO- InChIKey
XNTAENBZPPCFMK-UHFFFAOYSA-N- Molecular formula
- C7H14O3
- Average molar mass
- 146.18 g/mol
- Monoisotopic mass
- 146.0942943
Names & identifiers
- Preferred name
- Hept-2-ene-1,4,7-triol
- IUPAC
- hept-2-ene-1,4,7-triol
Names & synonyms
HEPT-2-ENE-1,4,7-TRIOL59742-70-0DTXSID60787047
Database identifiers
- CAS
59742-70-0- PubChem CID
- 71363530
- DTXSID
DTXSID60787047
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 90.9
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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