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116-83-6 | 9,10-Anthracenedione, 1-amino-4-methoxy-
CAS No: 116-83-6 Catalog No: AG000BDH MDL No:
Product Description
Catalog Number:
AG000BDH
Chemical Name:
9,10-Anthracenedione, 1-amino-4-methoxy-
CAS Number:
116-83-6
Molecular Formula:
C15H11NO3
Molecular Weight:
253.2527
IUPAC Name:
1-amino-4-methoxyanthracene-9,10-dione
InChI:
InChI=1S/C15H11NO3/c1-19-11-7-6-10(16)12-13(11)15(18)9-5-3-2-4-8(9)14(12)17/h2-7H,16H2,1H3
InChI Key:
KXOGXZAXERYOTC-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1C(=O)c1ccccc1C2=O)N
UNII:
BCH9T82ZKZ
NSC Number:
84162
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.257g/mol
Monoisotopic Mass:
253.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Structure-based discovery of novel chemotypes for adenosine A(2A) receptor antagonists. | Journal of medicinal chemistry 20100225 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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