Basic information
- CAS
103548-65-8- Standard SMILES
COC(=O)c1c(O)cc(OC)c(O)c1C(=O)OC- InChIKey
HMDYIGYECQQICB-UHFFFAOYSA-N- Molecular formula
- C11H12O7
- Average molar mass
- 256.21 g/mol
- Monoisotopic mass
- 256.05830272
Names & identifiers
- Preferred name
- Dimethyl 3,6-dihydroxy-4-methoxyphthalate
- IUPAC
- dimethyl 3,6-dihydroxy-4-methoxybenzene-1,2-dicarboxylate
Names & synonyms
dimethyl 3,6-dihydroxy-4-methoxyphthalate103548-65-8dimethyl 3,6-dihydroxy-4-methoxybenzene-1,2-dicarboxylateDTXSID101334695
Database identifiers
- CAS
103548-65-8- PubChem CID
- 438024
- DTXSID
DTXSID101334695- Nikkaji
- J2.348.690C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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