Basic information
- CAS
21583-38-0- Standard SMILES
O=C(O)CCC(=O)OCCO- InChIKey
DPIASIXITIGMOO-UHFFFAOYSA-N- Molecular formula
- C6H10O5
- Average molar mass
- 162.14 g/mol
- Monoisotopic mass
- 162.05282342
Names & identifiers
- Preferred name
- (2-Hydroxyethyl) hydrogen succinate
- IUPAC
- 4-(2-hydroxyethoxy)-4-oxobutanoic acid
- English name
- (2-hydroxyethyl) hydrogen succinate
- Molecular formula
- C6H10O5
- Molecular weight
- 162.14
Names & synonyms
(2-Hydroxyethyl) hydrogen succinate21583-38-04-(2-hydroxyethoxy)-4-oxobutanoic acidSCHEMBL683877DTXSID40944191DPIASIXITIGMOO-UHFFFAOYSA-NEINECS 244-457-6NS00049770Succinic acid 1-(2-hydroxyethyl) esterButanedioic acid, 1-(2-hydroxyethyl) esterButanedioic acid hydrogen 1-(2-hydroxyethyl) ester
Database identifiers
- CAS
21583-38-0- PubChem CID
- 88955
- DTXSID
DTXSID40944191- EC Number
- 244-457-6
- Nikkaji
- J226.231B
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 142
Physicochemical properties
- Melting point
- 129 · 129-130 °C
- Boiling point
- 377.2 · 377.2±22.0 °C(Predicted)
- Density
- 1.316 · 1.316±0.06 g/cm3(Predicted)
- pka
- 4.36 · 4.36±0.17(Predicted)
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
SIGMA—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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