Uracil-5-ylacetic acid
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Basic information
- CAS
20763-91-1- Standard SMILES
O=C(O)Cc1c[nH]c(=O)[nH]c1=O- InChIKey
ZVGODTQUYAKZMK-UHFFFAOYSA-N- Molecular formula
- C6H6N2O4
- Average molar mass
- 170.12 g/mol
- Monoisotopic mass
- 170.03275668
Names & identifiers
- Preferred name
- Uracil-5-ylacetic acid
- IUPAC
- 2-(2,4-dioxo-1H-pyrimidin-5-yl)acetic acid
- English name
- 1,3-Dihydro-2,4-dioxopyrimidine-5-acetic acid
- Molecular formula
- C6H6N2O4
- Molecular weight
- 170.12
Names & synonyms
20763-91-1Uracil-5-ylacetic acid(2,4-Dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)acetic acid2-(2,4-dioxo-1H-pyrimidin-5-yl)acetic acid2-(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acidMFCD086901975-pyrimidineacetic acid, 1,2,3,4-tetrahydro-2,4-dioxo-2-(2,4-dioxo-1,3-dihydropyrimidin-5-yl)acetic acidNSC169680uracil-5-acetic acid1,3-Dihydro-2,4-dioxopyrimidine-5-acetic acid
Show more names
5CmUra5-Carboxymethyluracil(2,4-Dihydroxy-pyrimidin-5-yl)-acetic acid(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid(SALTDATA: FREE)
SCHEMBL546397SCHEMBL546398SCHEMBL12277185-Pyrimidineaceticacid, 1,2,3,4-tetrahydro-2,4-dioxo-DTXSID50305198SBB019364STK661731AKOS000111451
Database identifiers
- CAS
20763-91-1- PubChem CID
- 298035
- DTXSID
DTXSID50305198- Nikkaji
- J39.575G
Properties
Computed structural propertiesFilling in
- XLogP
- -2.1
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 281
Physicochemical properties
- Melting point
- 302 °C · 302 °C
- Density
- 1.479 · 1.479±0.06 g/cm3(Predicted)
- pka
- 3.86 · 3.86±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
4 records
Compound notes
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