Tetrahydro-2,6-dioxo-2H-pyran-3-propionic acid
Basic information
- CAS
40550-18-3- Standard SMILES
O=C(O)CCC1CCC(=O)OC1=O- InChIKey
RKHVYUINAFDGOB-UHFFFAOYSA-N- Molecular formula
- C8H10O5
- Average molar mass
- 186.16 g/mol
- Monoisotopic mass
- 186.05282342
Names & identifiers
- Preferred name
- Tetrahydro-2,6-dioxo-2H-pyran-3-propionic acid
- IUPAC
- 3-(2,6-dioxooxan-3-yl)propanoic acid
- English name
- tetrahydro-2,6-dioxo-2H-pyran-3-propionic acid
- Molecular formula
- C8H10O5
- Molecular weight
- 186.16
Names & synonyms
40550-18-33-(2,6-dioxooxan-3-yl)propanoic acidTetrahydro-2,6-dioxo-2H-pyran-3-propionic acid3-(2,6-dioxotetrahydro-2H-pyran-3-yl)propanoic acidEINECS 254-972-8NSC166524SCHEMBL1697173RKHVYUINAFDGOB-UHFFFAOYSA-NDTXSID001246857NSC 166524NSC-166524NS00057719
Show more names
3-(2,6-dioxotetrahydropyran-3-yl) propanoic acid2H-Pyran-3-propanoic acid, tetrahydro-2,6-dioxo-
Tetrahydro-2,6-dioxo-2H-pyran-3-propanoic acid3-(2,6-dioxotetrahydro-2H-pyran-3-yl)propanoicacid
Database identifiers
- CAS
40550-18-3- PubChem CID
- 99033
- DTXSID
DTXSID001246857- EC Number
- 254-972-8
- Nikkaji
- J332.447H
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Melting point
- 103 °C · 103 °C
- Boiling point
- 428.6 · 428.6±18.0 °C(Predicted)
- Density
- 1.337 · 1.337±0.06 g/cm3(Predicted)
- pka
- 4.52 · 4.52±0.10(Predicted)
Chemistry & industry
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