Basic information
- CAS
51945-98-3- Standard SMILES
C=CC(O)C(O)C=CC- InChIKey
ADXMFHMYYFZEGM-UHFFFAOYSA-N- Molecular formula
- C7H12O2
- Average molar mass
- 128.17 g/mol
- Monoisotopic mass
- 128.08372962
Names & identifiers
- Preferred name
- Hepta-1,5-diene-3,4-diol
- IUPAC
- hepta-1,5-diene-3,4-diol
Names & synonyms
51945-98-31,5-HEPTADIENE-3,4-DIOLhepta-1,5-diene-3,4-diolSCHEMBL5868407DTXSID201377103DB-311560
Database identifiers
- CAS
51945-98-3- PubChem CID
- 40187
- DTXSID
DTXSID201377103
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 107
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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