2-Methoxyethyl 3-methylbenzoate
Basic information
- CAS
5448-53-3- Standard SMILES
COCCOC(=O)c1cccc(C)c1- InChIKey
XQEGCLXAOFSBBE-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Names & identifiers
- Preferred name
- 2-Methoxyethyl 3-methylbenzoate
- IUPAC
- 2-methoxyethyl 3-methylbenzoate
Names & synonyms
2-methoxyethyl 3-methylbenzoate5448-53-3DTXSID50969658RefChem:262771DTXCID801397208NSC17892Benzoicacid, 3-methyl-, 2-methoxyethyl esterXQEGCLXAOFSBBE-UHFFFAOYSA-NNSC-178923-Methylbenzoic acid, 2-methoxyethyl esterDS-007209
Database identifiers
- CAS
5448-53-3- PubChem CID
- 226908
- DTXSID
DTXSID50969658
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 179
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Compound notes
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