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Basic information
- CAS
77959-48-9- Standard SMILES
COC(=O)c1ccc(C(C)C(=O)OC)cc1- InChIKey
LMGDXEZEUHTSEE-UHFFFAOYSA-N- Molecular formula
- C12H14O4
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.08920892
Names & identifiers
- Preferred name
- Methyl 4-(1-methoxy-1-oxopropan-2-yl)benzoate
- IUPAC
- methyl 4-(1-methoxy-1-oxopropan-2-yl)benzoate
Names & synonyms
methyl 4-(1-methoxy-1-oxopropan-2-yl)benzoate77959-48-9METHYL 4-(1-METHOXY-1-OXOPROPAN-2-YL) BENZOATEBenzeneacetic acid, 4-(methoxycarbonyl)-alpha-methyl-, methyl esterSCHEMBL13014944DTXSID00999147Dimethyl alpha-Methylhomoterephthalate4-(1-Carboxyethyl)benzoic acid, dimethylDB-221095alpha-Methylhomoterephthalic Acid Dimethyl Esteralpha-Methylhomoterphthalic Acid Dimethyl EsterG80259
Database identifiers
- CAS
77959-48-9- PubChem CID
- 157136
- DTXSID
DTXSID00999147- Nikkaji
- J2.415.997C
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 254
Experimental & physicochemical properties
Kovats Retention Index1618
Related reactions
4 records
Compound notes
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