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824951-72-6 | 9,10-Anthracenedione, 1,8-bis(propylamino)-
CAS No: 824951-72-6 Catalog No: AG004VCQ MDL No:
Product Description
Catalog Number:
AG004VCQ
Chemical Name:
9,10-Anthracenedione, 1,8-bis(propylamino)-
CAS Number:
824951-72-6
Molecular Formula:
C20H22N2O2
Molecular Weight:
322.4009
IUPAC Name:
1,8-bis(propylamino)anthracene-9,10-dione
InChI:
InChI=1S/C20H22N2O2/c1-3-11-21-15-9-5-7-13-17(15)20(24)18-14(19(13)23)8-6-10-16(18)22-12-4-2/h5-10,21-22H,3-4,11-12H2,1-2H3
InChI Key:
UVXRVLHEMLJGIJ-UHFFFAOYSA-N
SMILES:
CCCNc1cccc2c1C(=O)c1c(C2=O)cccc1NCCC
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.168g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
322.408g/mol
Monoisotopic Mass:
322.168g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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