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13936-21-5 | 9,10-Anthracenedione, 2-pentyl-
CAS No: 13936-21-5 Catalog No: AG001AVB MDL No:MFCD01940478
Product Description
Catalog Number:
AG001AVB
Chemical Name:
9,10-Anthracenedione, 2-pentyl-
CAS Number:
13936-21-5
Molecular Formula:
C19H18O2
Molecular Weight:
278.3450
MDL Number:
MFCD01940478
IUPAC Name:
2-pentylanthracene-9,10-dione
InChI:
InChI=1S/C19H18O2/c1-2-3-4-7-13-10-11-16-17(12-13)19(21)15-9-6-5-8-14(15)18(16)20/h5-6,8-12H,2-4,7H2,1H3
InChI Key:
UMWZLYTVXQBTTE-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc2c(c1)C(=O)c1c(C2=O)cccc1
EC Number:
237-711-2
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.131g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.351g/mol
Monoisotopic Mass:
278.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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