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110719-01-2 | 1-Heptanone, 7-iodo-1-phenyl-
CAS No: 110719-01-2 Catalog No: AG0083HI MDL No:
Product Description
Catalog Number:
AG0083HI
Chemical Name:
1-Heptanone, 7-iodo-1-phenyl-
CAS Number:
110719-01-2
Molecular Formula:
C13H17IO
Molecular Weight:
316.1780
IUPAC Name:
7-iodo-1-phenylheptan-1-one
InChI:
InChI=1S/C13H17IO/c14-11-7-2-1-6-10-13(15)12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2
InChI Key:
WTGFEZATFLRAIN-UHFFFAOYSA-N
SMILES:
ICCCCCCC(=O)c1ccccc1
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.032g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.182g/mol
Monoisotopic Mass:
316.032g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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