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122934-55-8 | Hexanal, 6-(benzoyloxy)-
CAS No: 122934-55-8 Catalog No: AG000JSJ MDL No:
Product Description
Catalog Number:
AG000JSJ
Chemical Name:
Hexanal, 6-(benzoyloxy)-
CAS Number:
122934-55-8
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
IUPAC Name:
6-oxohexyl benzoate
InChI:
InChI=1S/C13H16O3/c14-10-6-1-2-7-11-16-13(15)12-8-4-3-5-9-12/h3-5,8-10H,1-2,6-7,11H2
InChI Key:
UKXNKELKYQIISI-UHFFFAOYSA-N
SMILES:
O=CCCCCCOC(=O)c1ccccc1
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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