1-Methylorotic acid
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Basic information
- CAS
705-36-2- Standard SMILES
Cn1c(C(=O)O)cc(=O)[nH]c1=O- InChIKey
HRHMKAOOSCBQKD-UHFFFAOYSA-N- Molecular formula
- C6H6N2O4
- Average molar mass
- 170.12 g/mol
- Monoisotopic mass
- 170.03275668
Names & identifiers
- Preferred name
- 1-Methylorotic acid
- IUPAC
- 3-methyl-2,6-dioxopyrimidine-4-carboxylic acid
- English name
- 1-methylorotic acid
- Molecular formula
- C6H6N2O4
- Molecular weight
- 170.12
Names & synonyms
1-(Methyl)orotic acidRefChem:9077081-Methylorotic acid705-36-23-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid2013-90-3MFCD206384903-Methylorotic acid3-methyl-2,6-dioxopyrimidine-4-carboxylic acidOrotic acid, 1-methyl-SCHEMBL1930157DTXSID10990701
Show more names
4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-1-methyl-2,6-dioxo-
BS-41949DB-304722CS-0060080W173733-methyl-2,6-dioxo-pyrimidine-4-carboxylic acid3-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylicacid6-Hydroxy-3-methyl-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid4-Pyrimidinecarboxylic-acid, 1,2,3,6-tetrahydro-3-methyl-2,6-dioxo-
Database identifiers
- CAS
705-36-2- PubChem CID
- 150845
- DTXSID
DTXSID10990701- Nikkaji
- J1.307.799A、J1.307.800I、J1.307.801G
Properties
Computed structural propertiesFilling in
- XLogP
- -1.1
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 294
Physicochemical properties
- Boiling point
- 299.73 °C · 299.73°C (rough estimate)
- Density
- 1.5523 · 1.5523 (rough estimate)
- refractive index
- 1.51 · 1.5100 (estimate)
- Water Solubility
- 20.42 g/L · 20.42g/L(20 ºC)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-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-P280-P301+P312-P302+P352-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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