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100647-24-3 | 9,10-Anthracenedione, 1,2,3,4-tetrahydro-6-sec-pentyl- (9CI)
CAS No: 100647-24-3 Catalog No: AG0002JY MDL No:
Product Description
Catalog Number:
AG0002JY
Chemical Name:
9,10-Anthracenedione, 1,2,3,4-tetrahydro-6-sec-pentyl- (9CI)
CAS Number:
100647-24-3
Molecular Formula:
C19H22O2
Molecular Weight:
282.3768
IUPAC Name:
6-pentan-2-yl-1,2,3,4-tetrahydroanthracene-9,10-dione
InChI:
InChI=1S/C19H22O2/c1-3-6-12(2)13-9-10-16-17(11-13)19(21)15-8-5-4-7-14(15)18(16)20/h9-12H,3-8H2,1-2H3
InChI Key:
JOQXWYKVSKVHJY-UHFFFAOYSA-N
SMILES:
CCCC(c1ccc2c(c1)C(=O)C1=C(C2=O)CCCC1)C
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.162g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.383g/mol
Monoisotopic Mass:
282.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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