Basic information
- CAS
37616-27-6- Standard SMILES
C=CCC=CC(=O)OC- InChIKey
ODLGSRPFJDMGNW-UHFFFAOYSA-N- Molecular formula
- C7H10O2
- Average molar mass
- 126.15 g/mol
- Monoisotopic mass
- 126.06807956
Names & identifiers
- Preferred name
- 2,5-Hexadienoic acid, methyl ester
- IUPAC
- methyl hexa-2,5-dienoate
Names & synonyms
2,5-Hexadienoic acid, methyl ester37616-27-6DTXSID10338386RefChem:247713DTXCID20289471ODLGSRPFJDMGNW-AATRIKPKSA-Nmethyl hexa-2,5-dienoateSCHEMBL27539866
Database identifiers
- CAS
37616-27-6- PubChem CID
- 548845
- DTXSID
DTXSID10338386
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 125
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…