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100495-30-5 | 9,10-Anthracenedione, 1,4-dihydroxy-5,8-bis(propylamino)-
CAS No: 100495-30-5 Catalog No: AG000252 MDL No:
Product Description
Catalog Number:
AG000252
Chemical Name:
9,10-Anthracenedione, 1,4-dihydroxy-5,8-bis(propylamino)-
CAS Number:
100495-30-5
Molecular Formula:
C20H22N2O4
Molecular Weight:
354.3997
IUPAC Name:
1,4-dihydroxy-5,8-bis(propylamino)anthracene-9,10-dione
InChI:
InChI=1S/C20H22N2O4/c1-3-9-21-11-5-6-12(22-10-4-2)16-15(11)19(25)17-13(23)7-8-14(24)18(17)20(16)26/h5-8,21-24H,3-4,9-10H2,1-2H3
InChI Key:
YPRZHHRWSYNXTB-UHFFFAOYSA-N
SMILES:
CCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCC
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.158g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
354.406g/mol
Monoisotopic Mass:
354.158g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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