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139565-35-8 | 9,10-Anthracenedione, 1-hydroxy-8-methoxy-2-(2-methylpropyl)-
CAS No: 139565-35-8 Catalog No: AG001B9X MDL No:
Product Description
Catalog Number:
AG001B9X
Chemical Name:
9,10-Anthracenedione, 1-hydroxy-8-methoxy-2-(2-methylpropyl)-
CAS Number:
139565-35-8
Molecular Formula:
C19H18O4
Molecular Weight:
310.3438
IUPAC Name:
1-hydroxy-8-methoxy-2-(2-methylpropyl)anthracene-9,10-dione
InChI:
InChI=1S/C19H18O4/c1-10(2)9-11-7-8-13-16(17(11)20)19(22)15-12(18(13)21)5-4-6-14(15)23-3/h4-8,10,20H,9H2,1-3H3
InChI Key:
XZQGIFIIFDCRPF-UHFFFAOYSA-N
SMILES:
COc1cccc2c1C(=O)c1c(C2=O)ccc(c1O)CC(C)C
Properties
Complexity:
472
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:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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