Methyl 2,6-dioxo-1,2,5,6-tetrahydropyrimidine-4-carboxylate
Basic information
- CAS
1849330-33-1- Standard SMILES
COC(=O)C1=NC(=O)NC(=O)C1- InChIKey
VMXCHXUGEQHMFP-UHFFFAOYSA-N- Molecular formula
- C6H6N2O4
- Average molar mass
- 170.12 g/mol
- Monoisotopic mass
- 170.03275668
Names & identifiers
- Preferred name
- Methyl 2,6-dioxo-1,2,5,6-tetrahydropyrimidine-4-carboxylate
- IUPAC
- methyl 2,6-dioxo-5H-pyrimidine-4-carboxylate
- English name
- methyl 2,6-dioxo-1,2,5,6-tetrahydropyrimidine-4-carboxylate
- Molecular formula
- C6H6N2O4
- Molecular weight
- 170.12
Names & synonyms
methyl 2,6-dioxo-1,2,5,6-tetrahydropyrimidine-4-carboxylate1849330-33-1RefChem:812984983-438-3MFCD30497433methyl 2,6-dioxo-5H-pyrimidine-4-carboxylateSY192226EN300-73287methyl2,6-dioxo-1,2,5,6-tetrahydropyrimidine-4-carboxylate4-Pyrimidinecarboxylic acid, 1,2,5,6-tetrahydro-2,6-dioxo-, methyl ester
Database identifiers
- CAS
1849330-33-1- PubChem CID
- 97298630
- EC Number
- 983-438-3
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 84.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 281
Physicochemical properties
- Density
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- pka
- 8.11 · 8.11±0.40(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…