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18100-07-7 | [2,2'-Binaphthalene]-1,4-dione, 3-hydroxy-
CAS No: 18100-07-7 Catalog No: AG0022JF MDL No:
Product Description
Catalog Number:
AG0022JF
Chemical Name:
[2,2'-Binaphthalene]-1,4-dione, 3-hydroxy-
CAS Number:
18100-07-7
Molecular Formula:
C20H12O3
Molecular Weight:
300.3075
IUPAC Name:
4-hydroxy-3-naphthalen-2-ylnaphthalene-1,2-dione
InChI:
InChI=1S/C20H12O3/c21-18-15-7-3-4-8-16(15)19(22)20(23)17(18)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,21H
InChI Key:
VFMNBGNJCNFCTA-UHFFFAOYSA-N
SMILES:
O=C1C(=C(c2ccc3c(c2)cccc3)C(=O)c2c1cccc2)O
NSC Number:
102538
Properties
Complexity:
547
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.079g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.313g/mol
Monoisotopic Mass:
300.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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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