Basic information
- CAS
56630-33-2- Standard SMILES
CCCCCC#CCC(=O)O- InChIKey
ZGMVHFLYJANFQJ-UHFFFAOYSA-N- Molecular formula
- C9H14O2
- Average molar mass
- 154.21 g/mol
- Monoisotopic mass
- 154.09937969
Names & identifiers
- Preferred name
- 3-Nonynoic acid
- IUPAC
- non-3-ynoic acid
- English name
- 3-Nonynoic acid
- Molecular formula
- C9H14O2
- Molecular weight
- 154.21
Names & synonyms
3-Nonynoic acidnon-3-ynoic acid56630-33-2SCHEMBL7705495DTXSID20871431ZGMVHFLYJANFQJ-UHFFFAOYSA-NAKOS006316513
Database identifiers
- CAS
56630-33-2- PubChem CID
- 534236
- DTXSID
DTXSID20871431- Nikkaji
- J110.797F
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Melting point
- 17 °C · 17°C
- Boiling point
- 308.54 °C · 308.54°C (rough estimate)
- Density
- 1.0249 · 1.0249 (rough estimate)
- refractive index
- 1.4603 · 1.4603
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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