Basic information
- CAS
7499-09-4- Standard SMILES
CC#CCCCCC(=O)O- InChIKey
ZRKZAXDHUVSRTO-UHFFFAOYSA-N- Molecular formula
- C8H12O2
- Average molar mass
- 140.18 g/mol
- Monoisotopic mass
- 140.08372962
Names & identifiers
- Preferred name
- 6-Octynoic acid
- IUPAC
- oct-6-ynoic acid
Names & synonyms
6-Octynoic acidoct-6-ynoic acid7499-09-4NSC-40752524XJB7P9SUNCIOpen2_003735SCHEMBL9366458DTXSID30324680NSC407525AKOS006378993
Database identifiers
- CAS
7499-09-4- PubChem CID
- 348271
- DTXSID
DTXSID30324680- UNII
- 24XJB7P9SU
- Nikkaji
- J1.935.795C
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 159
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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