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898785-56-3 | 4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-3'-IODOBUTYROPHENONE
CAS No: 898785-56-3 Catalog No: AG00GZ28 MDL No:
Product Description
Catalog Number:
AG00GZ28
Chemical Name:
4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-3'-IODOBUTYROPHENONE
CAS Number:
898785-56-3
IUPAC Name:
4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(3-iodophenyl)butan-1-one
InChI:
InChI=1S/C16H21IO3/c1-16(2)10-19-15(20-11-16)8-4-7-14(18)12-5-3-6-13(17)9-12/h3,5-6,9,15H,4,7-8,10-11H2,1-2H3
InChI Key:
GWKLMGQDHSPQQW-UHFFFAOYSA-N
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.054g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
388.245g/mol
Monoisotopic Mass:
388.054g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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