Basic information
- CAS
1192-51-4- Standard SMILES
CC1C(=O)COC1=O- InChIKey
AWGPWASAORSKKR-UHFFFAOYSA-N- Molecular formula
- C5H6O3
- Average molar mass
- 114.1 g/mol
- Monoisotopic mass
- 114.03169405
Names & identifiers
- Preferred name
- (+-)-3-Methyl-2,4(3H,5H)-furandione
- IUPAC
- 3-methyloxolane-2,4-dione
- English name
- α-Methyltetronic acid
- Molecular formula
- C5H6O3
- Molecular weight
- 114.1
Names & synonyms
1192-51-4RefChem:203674(+-)-3-Methyl-2,4(3H,5H)-furandione3-Methyl-furan-2,4-dione3-methyloxolane-2,4-dionealpha-Methyltetronic acid3-methylfuran-2,4(3H,5H)-dione3-Methyl-2,4(3H,5H)-furandione2,4(3H,5H)-Furandione, 3-methyl-3-METHYL-2,3,4,5-TETRAHYDRO-2,4-FURANDIONESCHEMBL791435DTXSID801296094
Show more names
α-Methyltetronic acid(±)-3-Methyl-2,4(3H,5H)-furandione
MFCD00094246AKOS0234137353-Methyl-2,4(3H,5H)-furandione #CS-0205473(A+/-)-3-Methyl-2,4(3H,5H)-furandioneG10017
Database identifiers
- CAS
1192-51-4- PubChem CID
- 544553
- DTXSID
DTXSID801296094- Nikkaji
- J100.989C
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Boiling point
- 291.1 · 291.1±33.0 °C(Predicted)
- Density
- 1.23 · 1.230±0.06 g/cm3(Predicted)
- pka
- 11.96 · 11.96±0.20(Predicted)
Chemistry & industry
Suppliers3 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
苏州施亚生物科技有限公司17715136450 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
8 records
Compound notes
Loading…