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CAS No.: | 14160-85-1 |
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Name: | 4,6-Dihydroxy-2-methylpyrimidine-5-carbaldehyde ,97% |
Molecular Structure: | |
Formula: | C6H6N2O3 |
Molecular Weight: | 154.125 |
Synonyms: | 5-Pyrimidinecarboxaldehyde,1,4-dihydro-6-hydroxy-2-methyl-4-oxo- (9CI);5-Pyrimidinecarboxaldehyde,4,6-dihydroxy-2-methyl- (6CI);6-Oxo-4-hydroxy-2-methyl-3,6-dihydropyrimidine-5-carboxaldehyde; |
Density: | 1.53 g/cm3 |
Melting Point: | 300 °C(Solv: acetic acid (64-19-7)) |
Boiling Point: | 263.1 °C at 760 mmHg |
Flash Point: | 112.9 °C |
Risk Codes: | 36/37/38 |
Safety: | 24/25 |
PSA: | 83.31000 |
LogP: | 0.00870 |
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The CAS registry number of 5-Pyrimidinecarboxaldehyde,1,6-dihydro-4-hydroxy-2-methyl-6-oxo- is 14160-85-1. The systematic name is 4,6-dihydroxy-2-methylpyrimidine-5-carbaldehyde. In addition, the molecular formula is C6H6N2O3 and the molecular weight is 154.12. It should be stored in a cool and dry place.
Physical properties about 5-Pyrimidinecarboxaldehyde,1,6-dihydro-4-hydroxy-2-methyl-6-oxo- are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 5; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 83.31 Å2; (9)Index of Refraction: 1.673; (10)Molar Refractivity: 37.77 cm3; (11)Molar Volume: 100.6 cm3; (12)Polarizability: 14.97 ×10-24cm3; (13)Surface Tension: 87.9 dyne/cm; (14)Density: 1.53 g/cm3; (15)Flash Point: 112.9 °C; (16)Enthalpy of Vaporization: 52.11 kJ/mol; (17)Boiling Point: 263.1 °C at 760 mmHg; (18)Vapour Pressure: 0.00643 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1nc(C)nc(O)c1C=O
(2)InChI: InChI=1/C6H6N2O3/c1-3-7-5(10)4(2-9)6(11)8-3/h2H,1H3,(H2,7,8,10,11)
(3)InChIKey: LRVSBYJDLSIFGG-UHFFFAOYAX