2-(4-Methoxy-3,5-dimethylphenyl)-2-oxoacetic acid
Basic information
- CAS
1443354-06-0- Standard SMILES
COc1c(C)cc(C(=O)C(=O)O)cc1C- InChIKey
JAQSXARFGDZLOC-UHFFFAOYSA-N- Molecular formula
- C11H12O4
- Average molar mass
- 208.21 g/mol
- Monoisotopic mass
- 208.07355886
Names & identifiers
- Preferred name
- 2-(4-Methoxy-3,5-dimethylphenyl)-2-oxoacetic acid
- IUPAC
- 2-(4-methoxy-3,5-dimethylphenyl)-2-oxoacetic acid
Names & synonyms
1443354-06-02-(4-Methoxy-3,5-dimethylphenyl)-2-oxoacetic acid(3,5-Dimethyl-4-methoxyphenyl)glyoxylic acidMFCD16293596DTXSID801231993AKOS017555989(4-Methoxy-3,5-dimethylphenyl)(oxo)acetic acidEN300-1857729F3994172-(4-Methoxy-3,5-dimethylphenyl)-2-oxoaceticacid2-(4-methoxy-3,5-dimethyl-phenyl)-2-oxo-acetic acidBenzeneacetic acid, 4-methoxy-3,5-dimethyl-I+/--oxo-
Database identifiers
- CAS
1443354-06-0- PubChem CID
- 79019784
- DTXSID
DTXSID801231993
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 249
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Compound notes
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