Basic information
- CAS
927-76-4- Standard SMILES
O=C/C=C/O- InChIKey
GMSHJLUJOABYOM-OWOJBTEDSA-N- Molecular formula
- C3H4O2
- Average molar mass
- 72.06 g/mol
- Monoisotopic mass
- 72.02112937
Names & identifiers
- Preferred name
- 2-Propenal, 3-hydroxy-
- IUPAC
- (E)-3-hydroxyprop-2-enal
Names & synonyms
2-Propenal, 3-hydroxy-927-76-4RefChem:10644403-Hydroxy-2-propenalbeta-hydroxyacroleinSCHEMBL231161SCHEMBL23908277
Database identifiers
- CAS
927-76-4- PubChem CID
- 5284414
- Nikkaji
- J603.356C、J792.248E
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 46.9
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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