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18093-44-2 | 1,4-Naphthalenedione, 2-methyl-3-undecyl-
CAS No: 18093-44-2 Catalog No: AG0022HR MDL No:
Product Description
Catalog Number:
AG0022HR
Chemical Name:
1,4-Naphthalenedione, 2-methyl-3-undecyl-
CAS Number:
18093-44-2
Molecular Formula:
C22H30O2
Molecular Weight:
326.4724
IUPAC Name:
2-methyl-3-undecylnaphthalene-1,4-dione
InChI:
InChI=1S/C22H30O2/c1-3-4-5-6-7-8-9-10-11-14-18-17(2)21(23)19-15-12-13-16-20(19)22(18)24/h12-13,15-16H,3-11,14H2,1-2H3
InChI Key:
ANINJZDEPNDTPH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC1=C(C)C(=O)c2c(C1=O)cccc2
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.225g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.48g/mol
Monoisotopic Mass:
326.225g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
Literature
| Title | Journal |
|---|---|
| Antiprotozoal quinones. I. Synthesis of 2-hydroxy-3-alkyl-1,4-naphthoquinones as potential coccidiostats. | Journal of medicinal chemistry 19680501 |
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