Basic information
- CAS
24744-97-6- Standard SMILES
CCOC(=O)C(CC)C(O)c1ccccc1- InChIKey
MCJORAPHPVJYNZ-UHFFFAOYSA-N- Molecular formula
- C13H18O3
- Average molar mass
- 222.28 g/mol
- Monoisotopic mass
- 222.12559443
Names & identifiers
- Preferred name
- Ethyl 2-[hydroxy(phenyl)methyl]butanoate
- IUPAC
- ethyl 2-[hydroxy(phenyl)methyl]butanoate
Names & synonyms
ethyl 2-[hydroxy(phenyl)methyl]butanoate24744-97-6NSC47962DTXSID20286844MCJORAPHPVJYNZ-UHFFFAOYSA-NZAA74497NSC-47962AKOS008151934ethyl2-[hydroxy(phenyl)methyl]butanoateCS-0261489EN300-78732G57820
Show more names
Z982133132
Database identifiers
- CAS
24744-97-6- PubChem CID
- 240971
- DTXSID
DTXSID20286844- Nikkaji
- J76.354C
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 209
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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