Heptyl glycolate
Basic information
- CAS
5426-48-2- Standard SMILES
CCCCCCCOC(=O)CO- InChIKey
IIOOMEJFHOOGOO-UHFFFAOYSA-N- Molecular formula
- C9H18O3
- Average molar mass
- 174.24 g/mol
- Monoisotopic mass
- 174.12559443
Names & identifiers
- Preferred name
- Heptyl glycolate
- IUPAC
- heptyl 2-hydroxyacetate
- English name
- heptyl 2-hydroxyacetate
- Molecular formula
- C9H18O3
- Molecular weight
- 174.24
Names & synonyms
5426-48-2heptyl glycolatehydroxyacetic acid heptyl esterNSC14109Heptyl hydroxyacetateSCHEMBL2255818SCHEMBL4078650DTXSID20279776NSC 14109NSC-14109heptyl 2-hydroxyacetateAcetic acid, 2-hydroxy-, heptyl ester
Database identifiers
- CAS
5426-48-2- PubChem CID
- 225045
- DTXSID
DTXSID20279776- Nikkaji
- J191.654H
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 112
Experimental & physicochemical properties
SpringerMaterials PropertiesSurface tension
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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