Methyl (S)-3-hydroxy-2-methylenebutanoate
Basic information
- CAS
112572-93-7- Standard SMILES
C=C(C(=O)OC)[C@H](C)O- InChIKey
VLCAYQIMSMPEBW-YFKPBYRVSA-N- Molecular formula
- C6H10O3
- Average molar mass
- 130.14 g/mol
- Monoisotopic mass
- 130.06299418
Names & identifiers
- Preferred name
- Methyl (S)-3-hydroxy-2-methylenebutanoate
- IUPAC
- methyl (3S)-3-hydroxy-2-methylidenebutanoate
Names & synonyms
Methyl (S)-3-hydroxy-2-methylenebutanoateSCHEMBL385925720026-40-8112572-93-7
Database identifiers
- CAS
112572-93-7- PubChem CID
- 642255
- EC Number
- 881-322-6
- Nikkaji
- J283.656D
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 128
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationREACH registered substance: Methyl-(3S)-3-hydroxy-2-methylenebutanoat (EC: 881-322-6)
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Related reactions
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Compound notes
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