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29366-45-8 | 1,4-Naphthalenedione, 2-hydroxy-3-propyl-
CAS No: 29366-45-8 Catalog No: AG002Y5N MDL No:
Product Description
Catalog Number:
AG002Y5N
Chemical Name:
1,4-Naphthalenedione, 2-hydroxy-3-propyl-
CAS Number:
29366-45-8
Molecular Formula:
C13H12O3
Molecular Weight:
216.2326
IUPAC Name:
4-hydroxy-3-propylnaphthalene-1,2-dione
InChI:
InChI=1S/C13H12O3/c1-2-5-10-11(14)8-6-3-4-7-9(8)12(15)13(10)16/h3-4,6-7,14H,2,5H2,1H3
InChI Key:
OEBPBHCPSQPAOS-UHFFFAOYSA-N
SMILES:
CCCC1=C(O)C(=O)c2c(C1=O)cccc2
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.236g/mol
Monoisotopic Mass:
216.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Quinonoid and phenazine compounds: synthesis and evaluation against H37Rv, rifampicin and isoniazid-resistance strains of Mycobacterium tuberculosis. | European journal of medicinal chemistry 20110901 |
| Synthesis and evaluation of quinonoid compounds against tumor cell lines. | European journal of medicinal chemistry 20110101 |
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