3-Hydroxy-7-octenoic acid
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Basic information
- CAS
120676-01-9- Standard SMILES
C=CCCCC(O)CC(=O)O- InChIKey
QYQFJLBAOZQKQU-UHFFFAOYSA-N- Molecular formula
- C8H14O3
- Average molar mass
- 158.19 g/mol
- Monoisotopic mass
- 158.09429431
Overview
structure given in first source
Names & identifiers
- Preferred name
- 3-Hydroxy-7-octenoic acid
- IUPAC
- 3-hydroxyoct-7-enoic acid
- English name
- 3-hydroxy-7-octenoic acid
- Molecular formula
- C8H14O3
- Molecular weight
- 158.2
Names & synonyms
3-Hydroxy-7-octenoic acid120676-01-93-HxoaRefChem:942133-hydroxyoct-7-enoic acid3-hydroxy-7 -octenoic acidSCHEMBL6683897-Octenoic acid, 3-hydroxy-DTXSID70923515QYQFJLBAOZQKQU-UHFFFAOYSA-N
Database identifiers
- CAS
120676-01-9- PubChem CID
- 129243
- DTXSID
DTXSID70923515
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 131
Physicochemical properties
- Boiling point
- 310.6 · 310.6±42.0 °C(Predicted)
- Density
- 1.067 · 1.067±0.06 g/cm3(Predicted)
- pka
- 4.37 · 4.37±0.10(Predicted)
Related reactions
2 records
Compound notes
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