Basic information
- CAS
37916-19-1- Standard SMILES
O=C(O)C=CC(=O)OCCO- InChIKey
MAIIXYUYRNFKPL-UHFFFAOYSA-N- Molecular formula
- C6H8O5
- Average molar mass
- 160.12 g/mol
- Monoisotopic mass
- 160.03717336
Names & identifiers
- Preferred name
- 4-(2-Hydroxyethoxy)-4-oxobut-2-enoic acid
- IUPAC
- 4-(2-hydroxyethoxy)-4-oxobut-2-enoic acid
Names & synonyms
4-(2-hydroxyethoxy)-4-oxobut-2-enoic acidSCHEMBL216330SCHEMBL26125596
Database identifiers
- CAS
37916-19-1- PubChem CID
- 33543
- DTXSID
DTXSID801303869
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 172
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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