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15043-03-5 | 2,4(1H,3H)-Pyrimidinedione, 6-ethyl-
CAS No: 15043-03-5 Catalog No: AG001MMG MDL No:MFCD18377697
Product Description
Catalog Number:
AG001MMG
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-ethyl-
CAS Number:
15043-03-5
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
MDL Number:
MFCD18377697
IUPAC Name:
6-ethyl-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C6H8N2O2/c1-2-4-3-5(9)8-6(10)7-4/h3H,2H2,1H3,(H2,7,8,9,10)
InChI Key:
JKUXMZDHLUUPGG-UHFFFAOYSA-N
SMILES:
CCc1cc(=O)[nH]c(=O)[nH]1
NSC Number:
58558
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.059g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
140.142g/mol
Monoisotopic Mass:
140.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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