Basic information
- CAS
38795-58-3- Standard SMILES
COC(=O)C(C)CCc1ccccc1- InChIKey
KEIGTQPTFNQBMC-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Names & identifiers
- Preferred name
- Methyl 2-methyl-4-phenylbutanoate
- IUPAC
- methyl 2-methyl-4-phenylbutanoate
Names & synonyms
Methyl 2-methyl-4-phenylbutanoate38795-58-3SCHEMBL121124DTXSID001366639Methyl 2-methyl-4-phenylbutanoate #AKOS0049081312-Methyl-4-phenyl-butyric acid, methyl ester2-METHYL-4-PHENYL BUTYRIC ACID, METHYL ESTER
Database identifiers
- CAS
38795-58-3- PubChem CID
- 560433
- DTXSID
DTXSID001366639- Nikkaji
- J433.792A
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 171
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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