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898785-49-4 | 3-(1,3-DIOXAN-2-YL)-3'-IODOPROPIOPHENONE
CAS No: 898785-49-4 Catalog No: AG00GYQY MDL No:
Product Description
Catalog Number:
AG00GYQY
Chemical Name:
3-(1,3-DIOXAN-2-YL)-3'-IODOPROPIOPHENONE
CAS Number:
898785-49-4
Molecular Formula:
C13H15IO3
Molecular Weight:
346.1609
IUPAC Name:
3-(1,3-dioxan-2-yl)-1-(3-iodophenyl)propan-1-one
InChI:
InChI=1S/C13H15IO3/c14-11-4-1-3-10(9-11)12(15)5-6-13-16-7-2-8-17-13/h1,3-4,9,13H,2,5-8H2
InChI Key:
ZVKKJNJAZQKZRB-UHFFFAOYSA-N
SMILES:
Ic1cccc(c1)C(=O)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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