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80902-01-8 | 3-Acetyl-1,8-dihydroxy-2-methyl-9,10-phenanthrenequinone
CAS No: 80902-01-8 Catalog No: AG0050S6 MDL No:
Product Description
Catalog Number:
AG0050S6
Chemical Name:
3-Acetyl-1,8-dihydroxy-2-methyl-9,10-phenanthrenequinone
CAS Number:
80902-01-8
Molecular Formula:
C17H12O5
Molecular Weight:
296.2742
IUPAC Name:
3-acetyl-1,8-dihydroxy-2-methylphenanthrene-9,10-dione
InChI:
InChI=1S/C17H12O5/c1-7-10(8(2)18)6-11-9-4-3-5-12(19)13(9)16(21)17(22)14(11)15(7)20/h3-6,19-20H,1-2H3
InChI Key:
CPYFLMXPZMBECD-UHFFFAOYSA-N
SMILES:
O=C1c2c(cc(c(c2O)C)C(=O)C)c2c(C1=O)c(O)ccc2
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.068g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.278g/mol
Monoisotopic Mass:
296.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Development and validation of spectrophotometric methods for determination of fluoxetine, sertraline, and paroxetine in pharmaceutical dosage forms. | Journal of AOAC International 20050101 |
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