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898785-46-1 | 3-(1,3-DIOXAN-2-YL)-2'-IODOPROPIOPHENONE
CAS No: 898785-46-1 Catalog No: AG006IVB MDL No:
Product Description
Catalog Number:
AG006IVB
Chemical Name:
3-(1,3-DIOXAN-2-YL)-2'-IODOPROPIOPHENONE
CAS Number:
898785-46-1
Molecular Formula:
C13H15IO3
Molecular Weight:
346.1609
IUPAC Name:
3-(1,3-dioxan-2-yl)-1-(2-iodophenyl)propan-1-one
InChI:
InChI=1S/C13H15IO3/c14-11-5-2-1-4-10(11)12(15)6-7-13-16-8-3-9-17-13/h1-2,4-5,13H,3,6-9H2
InChI Key:
ZWSGHDZGOKQSSI-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1I)CCC1OCCCO1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.007g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.164g/mol
Monoisotopic Mass:
346.007g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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