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117283-60-0 | 9H-Xanthen-9-one, 2,4-diethyl-
CAS No: 117283-60-0 Catalog No: AG000E1V MDL No:
Product Description
Catalog Number:
AG000E1V
Chemical Name:
9H-Xanthen-9-one, 2,4-diethyl-
CAS Number:
117283-60-0
Molecular Formula:
C17H16O2
Molecular Weight:
252.3077
IUPAC Name:
2,4-diethylxanthen-9-one
InChI:
InChI=1S/C17H16O2/c1-3-11-9-12(4-2)17-14(10-11)16(18)13-7-5-6-8-15(13)19-17/h5-10H,3-4H2,1-2H3
InChI Key:
KODNTHAUOGOFJY-UHFFFAOYSA-N
SMILES:
CCc1cc(CC)cc2c1oc1ccccc1c2=O
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.115g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.313g/mol
Monoisotopic Mass:
252.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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