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88167-34-4 | 1-PROPARGYL-5-IODOPYRIMIDIN-2-ONE
CAS No: 88167-34-4 Catalog No: AG004DB6 MDL No:
Product Description
Catalog Number:
AG004DB6
Chemical Name:
1-PROPARGYL-5-IODOPYRIMIDIN-2-ONE
CAS Number:
88167-34-4
Molecular Formula:
C7H5IN2O
Molecular Weight:
260.0319
IUPAC Name:
5-iodo-1-prop-2-ynylpyrimidin-2-one
InChI:
InChI=1S/C7H5IN2O/c1-2-3-10-5-6(8)4-9-7(10)11/h1,4-5H,3H2
InChI Key:
PKKOCUIWETVIRU-UHFFFAOYSA-N
SMILES:
Ic1cn(CC#C)c(=O)nc1
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.945g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.034g/mol
Monoisotopic Mass:
259.945g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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