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587-61-1 | Propyliodone
CAS No: 587-61-1 Catalog No: AG00EFHV MDL No:
Product Description
Catalog Number:
AG00EFHV
Chemical Name:
Propyliodone
CAS Number:
587-61-1
IUPAC Name:
propyl 2-(3,5-diiodo-4-oxopyridin-1-yl)acetate
InChI:
InChI=1S/C10H11I2NO3/c1-2-3-16-9(14)6-13-4-7(11)10(15)8(12)5-13/h4-5H,2-3,6H2,1H3
InChI Key:
ROSXARVHJNYYDO-UHFFFAOYSA-N
EC Number:
209-603-5
UNII:
5NPJ6BPX36
NSC Number:
97103
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.883g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
447.011g/mol
Monoisotopic Mass:
446.883g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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