Dodec-2-ynoic acid
Basic information
- CAS
67587-18-2- Standard SMILES
CCCCCCCCCC#CC(=O)O- InChIKey
YJDGZMNYNLBUNV-UHFFFAOYSA-N- Molecular formula
- C12H20O2
- Average molar mass
- 196.29 g/mol
- Monoisotopic mass
- 196.14632988
Names & identifiers
- Preferred name
- Dodec-2-ynoic acid
- IUPAC
- dodec-2-ynoic acid
Names & synonyms
dodec-2-ynoic acid67587-18-2DTXSID20314893RefChem:339368DTXCID302660162-Dodecynoic acidNSC289576SCHEMBL1626617AKOS014320949NSC-289576
Database identifiers
- CAS
67587-18-2- PubChem CID
- 324384
- DTXSID
DTXSID20314893
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 207
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Related reactions
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Compound notes
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