Basic information
- CAS
777-47-9- Standard SMILES
O=C(OCCO)c1cc(=O)[nH]c(=O)[nH]1- InChIKey
PGYQFUVZGAZRKS-UHFFFAOYSA-N- Molecular formula
- C7H8N2O5
- Average molar mass
- 200.15 g/mol
- Monoisotopic mass
- 200.04332136
Names & identifiers
- Preferred name
- 2-Hydroxyethyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate
- IUPAC
- 2-hydroxyethyl 2,4-dioxo-1H-pyrimidine-6-carboxylate
- English name
- 2-hydroxyethyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate
- Molecular formula
- C7H8N2O5
- Molecular weight
- 200.15
Names & synonyms
777-47-92-hydroxyethyl 2,4-dioxo-1H-pyrimidine-6-carboxylate2-Hydroxyethyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate2-hydroxyethyl 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylateEINECS 212-288-7DTXSID80228326PGYQFUVZGAZRKS-UHFFFAOYSA-NNS000379471,2,3,6-Tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic acid 2-hydroxyethyl ester4-PyriMidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, 2-hydroxyethyl ester
Database identifiers
- CAS
777-47-9- PubChem CID
- 69897
- DTXSID
DTXSID80228326- EC Number
- 212-288-7
- Nikkaji
- J193.166K
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Melting point
- 219 · 219-220 °C
- Density
- 1.488 · 1.488±0.06 g/cm3(Predicted)
- pka
- 5 · 5.00±0.10(Predicted)
Chemistry & industry
Suppliers3 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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