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Basic information
- CAS
86277-72-7- Standard SMILES
CO/C(=C/C(=O)O)C1=C(C)SC(C)CC1=O- InChIKey
ZXSCSEMRFMCCLV-VMPITWQZSA-N- Molecular formula
- C11H14O4S
- Average molar mass
- 242.29 g/mol
Names & identifiers
- Preferred name
- (E)-3-(3,4-Dihydro-4,6-dimethyl-2-oxo-2H-thiopyran-5-yl)-3-methoxypropenoic acid
- English name
- (E)-3-(3,4-Dihydro-4,6-dimethyl-2-oxo-2H-thiopyran-5-yl)-3-methoxypropenoic acid
- Molecular formula
- C11H14O4S
- Molecular weight
- 242.29
Names & synonyms
Citreothiolactone(E)-3-(3,4-Dihydro-4,6-dimethyl-2-oxo-2H-thiopyran-5-yl)-3-methoxypropenoic acid2-Propenoic acid, 3-(3,4-dihydro-2,6-dimethyl-4-oxo-2H-thiopyran-5-yl)-3-methoxy-, (2E)-(+)-
Database identifiers
- CAS
86277-72-7- PubChem CID
- 101036680
- UNII
- QTJ6UVU5D9
- Nikkaji
- J1.166.721J
Properties
Physicochemical properties
- Boiling point
- 366.1 · 366.1±42.0 °C(Predicted)
- Density
- 1.253 · 1.253±0.06 g/cm3(Predicted)
- pka
- 4.39 · 4.39±0.36(Predicted)
- FDA UNII
- 6 UVU5D9 · QTJ6UVU5D9
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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