2-Phenyl-1,3-propanetricarboxylic acid, triethyl ester
Basic information
- CAS
5394-85-4- Standard SMILES
CCOC(=O)CC(c1ccccc1)C(C(=O)OCC)C(=O)OCC- InChIKey
HWXPHMSHYRNUQR-UHFFFAOYSA-N- Molecular formula
- C18H24O6
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.15728848
Names & identifiers
- Preferred name
- 2-Phenyl-1,3-propanetricarboxylic acid, triethyl ester
- IUPAC
- triethyl 2-phenylpropane-1,1,3-tricarboxylate
Names & synonyms
NSC832NCIOpen2_008458NSC-8322-PHENYL-1,3-PROPANETRICARBOXYLIC ACID, TRIETHYL ESTERNSC67411NSC-67411NSC227211NSC-227211
Database identifiers
- CAS
5394-85-4- PubChem CID
- 219467
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 396
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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