Completing data — usually done within a minute
Basic information
- CAS
7498-53-5- Standard SMILES
COC(=O)c1cc(C)c(C(=O)O)c(C)c1- InChIKey
XOCGGTZMYAMKCN-UHFFFAOYSA-N- Molecular formula
- C11H12O4
- Average molar mass
- 208.21 g/mol
- Monoisotopic mass
- 208.07355886
Names & identifiers
- Preferred name
- 4-(Methoxycarbonyl)-2,6-dimethylbenzoic acid
- IUPAC
- 4-methoxycarbonyl-2,6-dimethylbenzoic acid
Names & synonyms
4-(methoxycarbonyl)-2,6-dimethylbenzoic acid7498-53-54-methoxycarbonyl-2,6-dimethylbenzoic acidNSC407551SCHEMBL7232930DTXSID20324694XOCGGTZMYAMKCN-UHFFFAOYSA-NMFCD09965996SBB094020NSC-407551SY502040DB-137681
Show more names
4-Methoxycarbonyl-2,6-dimethyl-benzoic acid2,6-dimethyl-4-(methoxycarbonyl)benzoic acidAE-562/43287088
Database identifiers
- CAS
7498-53-5- PubChem CID
- 348291
- DTXSID
DTXSID20324694
Properties
Computed structural propertiesFilling in
- 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
Related reactions
5 records
Compound notes
Loading…