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89564-50-1 | 5,12-Naphthacenedione, 11-chloro-1-hydroxy-6-methoxy-
CAS No: 89564-50-1 Catalog No: AG003Y74 MDL No:
Product Description
Catalog Number:
AG003Y74
Chemical Name:
5,12-Naphthacenedione, 11-chloro-1-hydroxy-6-methoxy-
CAS Number:
89564-50-1
Molecular Formula:
C19H11ClO4
Molecular Weight:
338.7412
IUPAC Name:
11-chloro-1-hydroxy-6-methoxytetracene-5,12-dione
InChI:
InChI=1S/C19H11ClO4/c1-24-19-10-6-3-2-5-9(10)16(20)14-15(19)17(22)11-7-4-8-12(21)13(11)18(14)23/h2-8,21H,1H3
InChI Key:
IPCOEXMTYLRLKS-UHFFFAOYSA-N
SMILES:
COc1c2C(=O)c3cccc(c3C(=O)c2c(c2c1cccc2)Cl)O
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.035g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.743g/mol
Monoisotopic Mass:
338.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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