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147049-83-0 | 6(5H)-Chrysenone
CAS No: 147049-83-0 Catalog No: AG001EK1 MDL No:
Product Description
Catalog Number:
AG001EK1
Chemical Name:
6(5H)-Chrysenone
CAS Number:
147049-83-0
Molecular Formula:
C18H12O
Molecular Weight:
244.2873
IUPAC Name:
5H-chrysen-6-one
InChI:
InChI=1S/C18H12O/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-10H,11H2
InChI Key:
ORPVFFVNUGRIMC-UHFFFAOYSA-N
SMILES:
O=C1Cc2c(c3c1cccc3)ccc1c2cccc1
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.089g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.293g/mol
Monoisotopic Mass:
244.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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