3-(4-Chloromethyl-2-methyl-phenyl)-propionic Acid Methyl Ester
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Basic information
- Standard SMILES
COC(=O)CCc1ccc(CCl)cc1C- InChIKey
AHVYQBJXHAMUIA-UHFFFAOYSA-N- Molecular formula
- C12H15ClO2
- Average molar mass
- 226.7 g/mol
Names & identifiers
- Preferred name
- 3-(4-Chloromethyl-2-methyl-phenyl)-propionic Acid Methyl Ester
- IUPAC
- methyl 3-[4-(chloromethyl)-2-methylphenyl]propanoate
Names & synonyms
591775-26-7SCHEMBL3929178AHVYQBJXHAMUIA-UHFFFAOYSA-NDB-0962433-(4-Chloromethyl-2-methyl-phenyl)-propionic Acid Methyl Ester
Database identifiers
- PubChem CID
- 57431981
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 206
Related reactions
8 records
Compound notes
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