Basic information
- CAS
2834-02-8- Standard SMILES
CCCCCCCCCCCCCCC#CC(=O)O- InChIKey
VHVMWCWIYITOLN-UHFFFAOYSA-N- Molecular formula
- C17H30O2
- Average molar mass
- 266.4 g/mol
- Monoisotopic mass
- 266.2245802
Names & identifiers
- Preferred name
- Heptadec-2-ynoic acid
- IUPAC
- heptadec-2-ynoic acid
Names & synonyms
heptadec-2-ynoic acid2-Heptadecynoic acid17PF5N58XE2834-02-8UNII-17PF5N58XECHEMBL1269411SCHEMBL3022654DTXSID60626785BDBM50329257
Database identifiers
- CAS
2834-02-8- PubChem CID
- 22600366
- DTXSID
DTXSID60626785- ChEMBL
CHEMBL1269411- UNII
- 17PF5N58XE
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 269
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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