Basic information
- CAS
5665-73-6- Standard SMILES
C=C=C(CCCC)C(=O)O- InChIKey
NSJHNPPTHYLSNL-UHFFFAOYSA-N- Molecular formula
- C8H12O2
- Average molar mass
- 140.18 g/mol
- Monoisotopic mass
- 140.08372962
Names & identifiers
- Preferred name
- Hexanoic acid, 2-ethenylidene-
- IUPAC
- 2-ethenylidenehexanoic acid
- English name
- 2-ethenylidenehexanoic acid
- Molecular formula
- C8H12O2
- Molecular weight
- 140.18
Names & synonyms
2-ethenylidenehexanoic acidHexanoic acid, 2-ethenylidene-5665-73-6NSC525132TGJ449944QNSC-525132Hexanoic acid,2-ethenylidene-SCHEMBL277041342-VINYLIDENEHEXANOIC ACIDAKOS006378988DS-011178
Database identifiers
- CAS
5665-73-6- PubChem CID
- 352129
- UNII
- TGJ449944Q
- Nikkaji
- J3.521.566B
Properties
Computed structural properties
- XLogP
- 1.9
- 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
- 164
Physicochemical properties
- FDA UNII
- 449944 Q · TGJ449944Q
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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