Basic information
- CAS
38433-80-6- Standard SMILES
CC(C=O)CO- InChIKey
JTMCAHGCWBGWRV-UHFFFAOYSA-N- Molecular formula
- C4H8O2
- Average molar mass
- 88.11 g/mol
- Monoisotopic mass
- 88.0524295
Names & identifiers
- Preferred name
- 3-Hydroxy-2-methylpropanal
- IUPAC
- 3-hydroxy-2-methylpropanal
Names & synonyms
3-hydroxy-2-methylpropanal38433-80-6DTXSID90959331RefChem:1067940DTXCID301387214Propanal, 3-hydroxy-2-methyl-2-methyl-3-hydroxypropanal3-hydroxy-2-methylpropionaldehyde2-methyl-3-hydroxy-propionaldehydeSCHEMBL92676SCHEMBL121010SCHEMBL9168563
Show more names
SCHEMBL27918273SCHEMBL28140112JTMCAHGCWBGWRV-UHFFFAOYSA-NBordetella pertussis toxin DISCONTINUEDEN300-7311506
Database identifiers
- CAS
38433-80-6- PubChem CID
- 11029762
- DTXSID
DTXSID90959331- Nikkaji
- J1.775.175A
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 42.8
Related reactions
6 records
Compound notes
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