Basic information
- CAS
7501-14-6- Standard SMILES
CCC(=O)Oc1cc(C)ccc1C(C)(C)C- InChIKey
VRXPMCNIDCVXGF-UHFFFAOYSA-N- Molecular formula
- C14H20O2
- Average molar mass
- 220.31 g/mol
- Monoisotopic mass
- 220.14632988
Names & identifiers
- Preferred name
- (2-Tert-butyl-5-methylphenyl) propanoate
- IUPAC
- (2-tert-butyl-5-methylphenyl) propanoate
Names & synonyms
(2-tert-butyl-5-methylphenyl) propanoate7501-14-6DTXSID90323598RefChem:206304DTXCID10274715NSC404390(2-tert-butyl-5-methylphenyl)propanoateSCHEMBL289543732-t-butyl-5-methylphenyl propionateNSC408081NSC-404390NSC-408081
Show more names
2-TERT-BUTYL-5-METHYLPHENYL PROPANOATE
Database identifiers
- CAS
7501-14-6- PubChem CID
- 346232
- DTXSID
DTXSID90323598
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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