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Home > Nitro Compounds > 81-65-2
81-65-2 | 1-Hydroxy-4-nitroanthraquinone , 97%
CAS No: 81-65-2 Catalog No: AG003EF2 MDL No:MFCD00142642
Product Description
Catalog Number:
AG003EF2
Chemical Name:
1-Hydroxy-4-nitroanthraquinone , 97%
CAS Number:
81-65-2
Molecular Formula:
C14H7NO5
Molecular Weight:
269.2091
MDL Number:
MFCD00142642
IUPAC Name:
1-hydroxy-4-nitroanthracene-9,10-dione
InChI:
InChI=1S/C14H7NO5/c16-10-6-5-9(15(19)20)11-12(10)14(18)8-4-2-1-3-7(8)13(11)17/h1-6,16H
InChI Key:
XXUOKOYLVBHBCG-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=O)c2c1c(ccc2O)[N+](=O)[O-]
NSC Number:
37111
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.032g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.212g/mol
Monoisotopic Mass:
269.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| 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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