Basic information
- CAS
2672-57-3- Standard SMILES
COC(=O)c1cccc(C(=O)OC)c1C(=O)OC- InChIKey
SBOCVSUCRFVXFE-UHFFFAOYSA-N- Molecular formula
- C12H12O6
- Average molar mass
- 252.22 g/mol
- Monoisotopic mass
- 252.0633881
Names & identifiers
- Preferred name
- Trimethyl 1,2,3-benzenetricarboxylate
- IUPAC
- trimethyl benzene-1,2,3-tricarboxylate
- English name
- Trimethyl 1,2,3-benzenetricarboxylate
- Molecular formula
- C12H12O6
- Molecular weight
- 252.22
Names & synonyms
trimethyl 1,2,3-benzenetricarboxylate2672-57-3trimethyl benzene-1,2,3-tricarboxylate1,2,3-benzenetricarboxylic acid, trimethyl esterBenzene-1,2,3-tricarboxylic acid, trimethyl esterBenzenetricarboxylic acid, trimethyl ester1,2,3-trimethyl benzene-1,2,3-tricarboxylate76720-50-8SCHEMBL127749SCHEMBL1666445SBOCVSUCRFVXFE-UHFFFAOYSA-NDTXSID901334413
Show more names
hemimelliticacid,trimethylester1,2,3-Benzenetricarboxylic acid trimethyl1,2,3-benzenetricarboxylicacid,trimethylester1,2,3-Benzenetricarboxylic acid, 1,2,3-trimethyl ester
SBB002910AKOS016347550methyl 2,6-bis(methoxycarbonyl)benzoateI821441,2,3-benzene-tricarboxylic acid trimethyl esterbenzene-1,2,3-tricarboxylic acid trimethyl ester
Database identifiers
- CAS
2672-57-3- PubChem CID
- 520281
- DTXSID
DTXSID901334413- Nikkaji
- J592D
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 313
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 100 · 100-101 °C
- Boiling point
- 125 · 125-132 °C(Press: 0.1 Torr)
- Density
- 1.241 · 1.241±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
江苏艾康生物医药研发有限公司17714375163 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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