Ethyl 3,5-dihydroxyhept-6-enoate
Basic information
- CAS
114433-99-7- Standard SMILES
C=CC(O)CC(O)CC(=O)OCC- InChIKey
ZYOZFSCMERENNR-UHFFFAOYSA-N- Molecular formula
- C9H16O4
- Average molar mass
- 188.22 g/mol
- Monoisotopic mass
- 188.10485899
Names & identifiers
- Preferred name
- Ethyl 3,5-dihydroxyhept-6-enoate
- IUPAC
- ethyl 3,5-dihydroxyhept-6-enoate
Names & synonyms
114433-99-7ETHYL 3,5-DIHYDROXYHEPT-6-ENOATESCHEMBL9870922DTXSID40545127ZYOZFSCMERENNR-UHFFFAOYSA-Nbeta,delta-dihydroxy-6-heptenoic acid, ethyl ester
Database identifiers
- CAS
114433-99-7- PubChem CID
- 13617280
- DTXSID
DTXSID40545127
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 167
Related reactions
3 records
Compound notes
Loading…