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7336-64-3 | 9,10-Anthracenedione, 1-hydroxy-4-methoxy-
CAS No: 7336-64-3 Catalog No: AG005EMK MDL No:
Product Description
Catalog Number:
AG005EMK
Chemical Name:
9,10-Anthracenedione, 1-hydroxy-4-methoxy-
CAS Number:
7336-64-3
Molecular Formula:
C15H10O4
Molecular Weight:
254.2375
IUPAC Name:
1-hydroxy-4-methoxyanthracene-9,10-dione
InChI:
InChI=1S/C15H10O4/c1-19-11-7-6-10(16)12-13(11)15(18)9-5-3-2-4-8(9)14(12)17/h2-7,16H,1H3
InChI Key:
LXLSOGUOWDOXMC-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1C(=O)c1ccccc1C2=O)O
NSC Number:
227235
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.058g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.241g/mol
Monoisotopic Mass:
254.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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