Basic information
- CAS
73738-25-7- Standard SMILES
[2H]C(O)(CC(=O)OCC)c1ccccc1- InChIKey
DVIBDQWVFHDBOP-MMIHMFRQSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 195.23 g/mol
- Monoisotopic mass
- 195.10057105
Names & identifiers
- Preferred name
- Ethyl 3-hydroxy-3-phenyl(3-~2~H)propanoate
- IUPAC
- ethyl 3-deuterio-3-hydroxy-3-phenylpropanoate
Names & synonyms
73738-25-7DTXSID801227764Ethyl 3-hydroxy-3-phenyl(3-~2~H)propanoateBenzenepropanoic-I(2)-d acid, I(2)-hydroxy-, ethyl ester
Database identifiers
- CAS
73738-25-7- PubChem CID
- 12376524
- DTXSID
DTXSID801227764- Nikkaji
- J2.317.042F
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 173
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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