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139582-75-5 | 9,10-Anthracenedione, 2-butyl-1-hydroxy-8-methoxy-
CAS No: 139582-75-5 Catalog No: AG001BBN MDL No:
Product Description
Catalog Number:
AG001BBN
Chemical Name:
9,10-Anthracenedione, 2-butyl-1-hydroxy-8-methoxy-
CAS Number:
139582-75-5
Molecular Formula:
C19H18O4
Molecular Weight:
310.3438
IUPAC Name:
2-butyl-1-hydroxy-8-methoxyanthracene-9,10-dione
InChI:
InChI=1S/C19H18O4/c1-3-4-6-11-9-10-13-16(17(11)20)19(22)15-12(18(13)21)7-5-8-14(15)23-2/h5,7-10,20H,3-4,6H2,1-2H3
InChI Key:
ALEUMQALMLKRIK-UHFFFAOYSA-N
SMILES:
CCCCc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1OC
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.121g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.349g/mol
Monoisotopic Mass:
310.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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