Basic information
- CAS
88039-43-4- Standard SMILES
C=C(C(=O)OC(C)C)C(C)O- InChIKey
GWUOBKPBUCNEHB-UHFFFAOYSA-N- Molecular formula
- C8H14O3
- Average molar mass
- 158.19 g/mol
- Monoisotopic mass
- 158.0942943
Names & identifiers
- Preferred name
- Butanoic acid, 3-hydroxy-2-methylene-, 1-methylethyl ester
- IUPAC
- propan-2-yl 3-hydroxy-2-methylidenebutanoate
Names & synonyms
88039-43-4Butanoic acid, 3-hydroxy-2-methylene-, 1-methylethyl esterpropan-2-yl 3-hydroxy-2-methylidenebutanoateSCHEMBL5081341DTXSID30434814
Database identifiers
- CAS
88039-43-4- PubChem CID
- 10057775
- DTXSID
DTXSID30434814
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 161
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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