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88945-39-5 | 2-Hepten-1-one, 7-iodo-1-phenyl-
CAS No: 88945-39-5 Catalog No: AG0047JF MDL No:
Product Description
Catalog Number:
AG0047JF
Chemical Name:
2-Hepten-1-one, 7-iodo-1-phenyl-
CAS Number:
88945-39-5
Molecular Formula:
C13H15IO
Molecular Weight:
314.1621
IUPAC Name:
7-iodo-1-phenylhept-2-en-1-one
InChI:
InChI=1S/C13H15IO/c14-11-7-2-1-6-10-13(15)12-8-4-3-5-9-12/h3-6,8-10H,1-2,7,11H2
InChI Key:
OQGJKGIKCQQCGU-UHFFFAOYSA-N
SMILES:
ICCCCC=CC(=O)c1ccccc1
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.017g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.166g/mol
Monoisotopic Mass:
314.017g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.7
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