Basic information
- Standard SMILES
COc1c(C)cc(C(=O)CCC(=O)O)cc1C- InChIKey
UXBGNNIUWXVYLX-UHFFFAOYSA-N- Molecular formula
- C13H16O4
- Average molar mass
- 236.26 g/mol
- Monoisotopic mass
- 236.10485899
Names & identifiers
- Preferred name
- 4-(3,5-Dimethyl-4-methoxyphenyl)-4-oxobutyric acid
- IUPAC
- 4-(4-methoxy-3,5-dimethylphenyl)-4-oxobutanoic acid
- English name
- 4-(3,5-Dimethyl-4-methoxyphenyl)-4-oxobutyric acid
- Molecular formula
- C13H16O4
- Molecular weight
- 236.26
Names & synonyms
103234-38-44-(3,5-DIMETHYL-4-METHOXYPHENYL)-4-OXOBUTYRIC ACID4-(4-methoxy-3,5-dimethylphenyl)-4-oxobutanoic acidMFCD01320032SCHEMBL9861846DTXSID90554724UXBGNNIUWXVYLX-UHFFFAOYSA-NAKOS016022384F2071164-(4-methoxy-3,5-dimethyl-phenyl)-4-oxo-butanoic acid4-(3,5-DIMETHYL-4-METHOXYPHENYL)-4-OXOBUTYRICACID4-Methoxy-3,5-dimethyl-γ-oxobenzenebutanoic acid
Show more names
4-Methoxy-3,5-dimethyl-γ-oxobenzenebutanoic acidBenzenebutanoic acid, 4-methoxy-3,5-dimethyl-γ-oxo-
Database identifiers
- CAS
103234-38-4- PubChem CID
- 14032087
- DTXSID
DTXSID90554724
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 275
Chemistry & industry
Suppliers3 total
Related reactions
3 records
Linked notes
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