Basic information
- CAS
51945-98-3- Standard SMILES
C=CC(O)C(O)/C=C/C- InChIKey
ADXMFHMYYFZEGM-HWKANZROSA-N- Molecular formula
- C7H12O2
- Average molar mass
- 128.17 g/mol
- Monoisotopic mass
- 128.08372962
Names & identifiers
- Preferred name
- 1,5-Heptadiene-3,4-diol
- IUPAC
- (5E)-hepta-1,5-diene-3,4-diol
Names & synonyms
1,5-HEPTADIENE-3,4-DIOLSCHEMBL5868406ADXMFHMYYFZEGM-HWKANZROSA-N(5E)-1,5-Heptadiene-3,4-diol #
Database identifiers
- CAS
51945-98-3- PubChem CID
- 5366240
- Nikkaji
- J108.751G
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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