2,2-Bis(hydroxymethyl)propane-1,3-diol;hexanedioic acid;2-(2-hydroxyethoxy)ethanol
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Basic information
- CAS
67784-94-5- Standard SMILES
O=C(O)CCCCC(=O)O.OCC(CO)(CO)CO.OCCOCCO- InChIKey
DBKMFZPOVLAQOO-UHFFFAOYSA-N- Molecular formula
- C15H32O11
- Average molar mass
- 388.41 g/mol
- Monoisotopic mass
- 388.19446183
Names & identifiers
- Preferred name
- 2,2-Bis(hydroxymethyl)propane-1,3-diol;hexanedioic acid;2-(2-hydroxyethoxy)ethanol
- IUPAC
- 2,2-bis(hydroxymethyl)propane-1,3-diol;hexanedioic acid;2-(2-hydroxyethoxy)ethanol
- English name
- 2,2-bis(hydroxymethyl)propane-1,3-diol: hexanedioic acid: 2-(2-hydroxy ethoxy)ethanol
- Molecular formula
- C15H32O11
- Molecular weight
- 388.41
Names & synonyms
Adipic acid-diethyleneglycol-pentaerythritol2,2-bis(hydroxymethyl)propane-1,3-diol: hexanedioic acid: 2-(2-hydroxy ethoxy)ethanol
Database identifiers
- CAS
67784-94-5- PubChem CID
- 6455551
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 205 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 13
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- EPA Substance Registry System
- 2 · Hexanedioic acid, polymer with 2,2-bis(hydroxymethyl)-1,3-propanediol and 2,2'-oxybis[ethanol] (67784-94-5)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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