Basic information
- CAS
26543-09-9- Standard SMILES
C[C@@H]1C(=O)O[C@@](C)(C(=O)O)[C@]1(C)O- InChIKey
YTEPYGBARSCSMX-VXFFBNABSA-N- Molecular formula
- C8H12O5
- Average molar mass
- 188.18 g/mol
- Monoisotopic mass
- 188.06847348
Names & identifiers
- Preferred name
- Monocrotalic acid
- IUPAC
- (2R,3R,4S)-3-hydroxy-2,3,4-trimethyl-5-oxooxolane-2-carboxylic acid
Names & synonyms
RefChem:1089823Monocrotalic acid2-Furoic acid, tetrahydro-3-hydroxy-2,3,4-trimethyl-5-oxo-, (2R,3R,4R)-2-Furancarboxylic acid, tetrahydro-3-hydroxy-2,3,4-trimethyl-5-oxo-, (2R-(2-alpha,3-beta,4-alpha))-3-Hydroxy-2,3,4-trimethyl-5-oxooxolane-2-carboxylic acid
Database identifiers
- CAS
26543-09-9- PubChem CID
- 33537
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 274
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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