Basic information
- CAS
61271-90-7- Standard SMILES
CCCCCC(C)=CCC(=O)O- InChIKey
QQZVHSKDJXHMBX-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Names & identifiers
- Preferred name
- 4-Methylnon-3-enoic acid
- IUPAC
- 4-methylnon-3-enoic acid
Names & synonyms
4-METHYLNON-3-ENOIC ACID61271-90-7SCHEMBL4633104DTXSID90709999
Database identifiers
- CAS
61271-90-7- PubChem CID
- 54242513
- DTXSID
DTXSID90709999
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 159
Related reactions
1 records
Compound notes
Loading…