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7470-95-3 | 10-HYDROXY-1-METHOXY-10-PHENYL-ANTHRACEN-9-ONE
CAS No: 7470-95-3 Catalog No: AG005HYF MDL No:
Product Description
Catalog Number:
AG005HYF
Chemical Name:
10-HYDROXY-1-METHOXY-10-PHENYL-ANTHRACEN-9-ONE
CAS Number:
7470-95-3
Molecular Formula:
C21H16O3
Molecular Weight:
316.3499
IUPAC Name:
10-hydroxy-1-methoxy-10-phenylanthracen-9-one
InChI:
InChI=1S/C21H16O3/c1-24-18-13-7-12-17-19(18)20(22)15-10-5-6-11-16(15)21(17,23)14-8-3-2-4-9-14/h2-13,23H,1H3
InChI Key:
PGXKMDQDFLDERH-UHFFFAOYSA-N
SMILES:
COc1cccc2c1C(=O)c1ccccc1C2(O)c1ccccc1
NSC Number:
402475
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.11g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.356g/mol
Monoisotopic Mass:
316.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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