Basic information
- CAS
93762-26-6- Standard SMILES
CCCCCCCCCCCCCOC(=O)C=CC(=O)O- InChIKey
FGACNJFGXDUISO-UHFFFAOYSA-N- Molecular formula
- C17H30O4
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.21440943
Names & identifiers
- Preferred name
- 4-Oxo-4-(tridecyloxy)but-2-enoic acid
- IUPAC
- 4-oxo-4-tridecoxybut-2-enoic acid
Names & synonyms
1-Tridecyl 2-butenedioateSCHEMBL1013505DTXSID701312590NS000628614-OXO-4-(TRIDECYLOXY)BUT-2-ENOIC ACID
Database identifiers
- CAS
93762-26-6- PubChem CID
- 108993
- DTXSID
DTXSID701312590
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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