Bis(2-hydroxyethyl) benzene-1,3-dicarboxylate
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Basic information
- CAS
3644-99-3- Standard SMILES
O=C(OCCO)c1cccc(C(=O)OCCO)c1- InChIKey
ULCGAWLDXLEIIR-UHFFFAOYSA-N- Molecular formula
- C12H14O6
- Average molar mass
- 254.24 g/mol
- Monoisotopic mass
- 254.07903816
Names & identifiers
- Preferred name
- Bis(2-hydroxyethyl) benzene-1,3-dicarboxylate
- IUPAC
- bis(2-hydroxyethyl) benzene-1,3-dicarboxylate
- English name
- 1,3-Benzenedicarboxylic acid, bis(2-hydroxyethyl) ester
- Molecular formula
- C12H14O6
- Molecular weight
- 254.24
Names & synonyms
3644-99-3Bis(2-hydroxyethyl) benzene-1,3-dicarboxylateDTXSID60632922RefChem:329623DTXCID305836741,3-Benzenedicarboxylic acid, bis(2-hydroxyethyl) ester1,3-BIS(2-HYDROXYETHYL) BENZENE-1,3-DICARBOXYLATE1,3-Benzenedicarboxylic acid 1,3-bis(2-hydroxyethyl) esterSCHEMBL134602MFCD20259689bis(2-hydroxyethyl) isophthalateBis(2-hydroxyethyl) isophthalate in methanol
Show more names
1,3-Benzenedicarboxylic acid, 1,3-bis(2-hydroxyethyl) ester
Database identifiers
- CAS
3644-99-3- PubChem CID
- 23323928
- DTXSID
DTXSID60632922- Nikkaji
- J1.581.853K
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Melting point
- 142 °C · 142 °C
- Boiling point
- 134 °C · 134 °C(Press: 0.4 Torr)
- Density
- 1.315 · 1.315±0.06 g/cm3(Predicted)
- pka
- 13.51 · 13.51±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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