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28555-16-0 | 9,10-Anthracenedione, 2-ethyltetrahydro-
CAS No: 28555-16-0 Catalog No: AG002VOU MDL No:
Product Description
Catalog Number:
AG002VOU
Chemical Name:
9,10-Anthracenedione, 2-ethyltetrahydro-
CAS Number:
28555-16-0
Molecular Formula:
C16H16O2
Molecular Weight:
240.2970
IUPAC Name:
2-ethyl-1,2,3,4-tetrahydroanthracene-9,10-dione
InChI:
InChI=1S/C16H16O2/c1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/h3-6,10H,2,7-9H2,1H3
InChI Key:
JORLUGVBYJSSAW-UHFFFAOYSA-N
SMILES:
CCC1CCC2=C(C1)C(=O)c1c(C2=O)cccc1
NSC Number:
17553
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.115g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.302g/mol
Monoisotopic Mass:
240.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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