Basic information
- CAS
6938-38-1- Standard SMILES
COc1ccc(C(=O)OC(C)C)cc1- InChIKey
UVCWQNZMIZWZOH-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Names & identifiers
- Preferred name
- Propan-2-yl 4-methoxybenzoate
- IUPAC
- propan-2-yl 4-methoxybenzoate
- English name
- Benzoic acid, 4-Methoxy-, 1-Methylethyl ester
- Molecular formula
- C11H14O3
- Molecular weight
- 194.23
Names & synonyms
propan-2-yl 4-methoxybenzoate6938-38-14-methoxy-benzoic acid isopropyl esterIsopropyl 4-methoxybenzoate #SCHEMBL3021735SCHEMBL5106640DTXSID20989166UVCWQNZMIZWZOH-UHFFFAOYSA-NNSC53954NSC-53954AKOS0089479414-Methoxybenzoic acid, isopropyl ester
Show more names
1-Methylethyl 4-methoxybenzoateBenzoic acid, 4-Methoxy-, 1-Methylethyl ester
Database identifiers
- CAS
6938-38-1- PubChem CID
- 243786
- DTXSID
DTXSID20989166- Nikkaji
- J1.296.030A
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 181
Experimental & physicochemical properties
SpringerMaterials PropertiesViscosity
Physicochemical properties
- Boiling point
- 276.9 · 276.9±13.0 °C(Predicted)
- Density
- 1.051 · 1.051±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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