Basic information
- CAS
6297-45-6- Standard SMILES
Cc1cccc(C(=O)OC(C)C)c1- InChIKey
QSWDKFNZXXSIPQ-UHFFFAOYSA-N- Molecular formula
- C11H14O2
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.09937969
Names & identifiers
- Preferred name
- Propan-2-yl 3-methylbenzoate
- IUPAC
- propan-2-yl 3-methylbenzoate
Names & synonyms
propan-2-yl 3-methylbenzoate6297-45-6DTXSID50280658RefChem:373945DTXCID00231812NSC17890SCHEMBL6057062NSC-17890AKOS008948085
Database identifiers
- CAS
6297-45-6- PubChem CID
- 226906
- DTXSID
DTXSID50280658- Nikkaji
- J2.482.368G
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 175
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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