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2348-77-8 | 1,4-Naphthalenedione, 2-phenyl-
CAS No: 2348-77-8 Catalog No: AG002NDN MDL No:
Product Description
Catalog Number:
AG002NDN
Chemical Name:
1,4-Naphthalenedione, 2-phenyl-
CAS Number:
2348-77-8
Molecular Formula:
C16H10O2
Molecular Weight:
234.2494
IUPAC Name:
2-phenylnaphthalene-1,4-dione
InChI:
InChI=1S/C16H10O2/c17-15-10-14(11-6-2-1-3-7-11)16(18)13-9-5-4-8-12(13)15/h1-10H
InChI Key:
CIDYIYSNDAJNGX-UHFFFAOYSA-N
SMILES:
O=C1C(=CC(=O)c2c1cccc2)c1ccccc1
NSC Number:
167124
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.068g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.254g/mol
Monoisotopic Mass:
234.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Synthesis and evaluation of arylquinones as BACE1 inhibitors, β-amyloid peptide aggregation inhibitors, and destabilizers of preformed β-amyloid fibrils. | Bioorganic & medicinal chemistry letters 20110415 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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