Basic information
- CAS
342405-24-7- Standard SMILES
COC(=O)c1cc(CC(C)=O)cc(O)c1C(=O)OC- InChIKey
GDHMXIIOEKZBTA-UHFFFAOYSA-N- Molecular formula
- C13H14O6
- Average molar mass
- 266.25 g/mol
- Monoisotopic mass
- 266.07903816
Names & identifiers
- Preferred name
- 1,2-Dimethyl 3-hydroxy-5-(2-oxopropyl)-1,2-benzenedicarboxylate
- IUPAC
- dimethyl 3-hydroxy-5-(2-oxopropyl)benzene-1,2-dicarboxylate
Names & synonyms
DTXSID5011752271,2-Dimethyl 3-hydroxy-5-(2-oxopropyl)-1,2-benzenedicarboxylate342405-24-7Dimethyl 3-hydroxy-5-(2-oxopropyl)benzene-1,2-dicarboxylate
Database identifiers
- CAS
342405-24-7- PubChem CID
- 12379914
- DTXSID
DTXSID501175227
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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