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23941-84-6 | 1,3,6-Trimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde
CAS No: 23941-84-6 Catalog No: AG007OFG MDL No:MFCD03043645
Product Description
Catalog Number:
AG007OFG
Chemical Name:
1,3,6-Trimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde
CAS Number:
23941-84-6
Molecular Formula:
C8H10N2O3
Molecular Weight:
182.1766
MDL Number:
MFCD03043645
IUPAC Name:
1,3,4-trimethyl-2,6-dioxopyrimidine-5-carbaldehyde
InChI:
InChI=1S/C8H10N2O3/c1-5-6(4-11)7(12)10(3)8(13)9(5)2/h4H,1-3H3
InChI Key:
VNXFLIBHSUIVBO-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)n(C)c(=O)n(c1=O)C
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.179g/mol
Monoisotopic Mass:
182.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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