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898785-60-9 | 5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-2'-IODOVALEROPHENONE
CAS No: 898785-60-9 Catalog No: AG00GZJM MDL No:
Product Description
Catalog Number:
AG00GZJM
Chemical Name:
5-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-2'-IODOVALEROPHENONE
CAS Number:
898785-60-9
Molecular Formula:
C17H23IO3
Molecular Weight:
402.2672
IUPAC Name:
5-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(2-iodophenyl)pentan-1-one
InChI:
InChI=1S/C17H23IO3/c1-17(2)11-20-16(21-12-17)10-6-5-9-15(19)13-7-3-4-8-14(13)18/h3-4,7-8,16H,5-6,9-12H2,1-2H3
InChI Key:
ORMJUSXQPQPBHO-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1I)CCCCC1OCC(CO1)(C)C
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.069g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.272g/mol
Monoisotopic Mass:
402.069g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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