Basic information
- CAS
6975-33-3- Standard SMILES
CCCCC(CC)CNC(=O)C=CC(=O)O- InChIKey
GKRPTTYZZLGANE-UHFFFAOYSA-N- Molecular formula
- C12H21NO3
- Average molar mass
- 227.3 g/mol
- Monoisotopic mass
- 227.15214353
Names & identifiers
- Preferred name
- 4-(2-Ethylhexylamino)-4-oxobut-2-enoic acid
- IUPAC
- 4-(2-ethylhexylamino)-4-oxobut-2-enoic acid
Names & synonyms
SCHEMBL2027024
Database identifiers
- CAS
6975-33-3- PubChem CID
- 95602
- EC Number
- 230-233-5
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 249
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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