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87533-49-1 | ETHANONE, 1,1'-(5-AMINO-1,3-PHENYLENE)BIS-
CAS No: 87533-49-1 Catalog No: AG004H4A MDL No:MFCD03423784
Product Description
Catalog Number:
AG004H4A
Chemical Name:
ETHANONE, 1,1'-(5-AMINO-1,3-PHENYLENE)BIS-
CAS Number:
87533-49-1
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD03423784
IUPAC Name:
1-(3-acetyl-5-aminophenyl)ethanone
InChI:
InChI=1S/C10H11NO2/c1-6(12)8-3-9(7(2)13)5-10(11)4-8/h3-5H,11H2,1-2H3
InChI Key:
XUVYQFMQZZYSLO-UHFFFAOYSA-N
SMILES:
Nc1cc(cc(c1)C(=O)C)C(=O)C
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Critical role of reverse transcriptase in the inhibitory mechanism of CNI-H0294 on HIV-1 nuclear translocation. | Proceedings of the National Academy of Sciences of the United States of America 19961015 |
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