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81-79-8 | 9,10-dioxo-1-(phenylamino)-9,10-dihydroanthracene-2-carboxylic acid
CAS No: 81-79-8 Catalog No: AG0056TA MDL No:
Product Description
Catalog Number:
AG0056TA
Chemical Name:
9,10-dioxo-1-(phenylamino)-9,10-dihydroanthracene-2-carboxylic acid
CAS Number:
81-79-8
Molecular Formula:
C21H13NO4
Molecular Weight:
343.3322
IUPAC Name:
1-anilino-9,10-dioxoanthracene-2-carboxylic acid
InChI:
InChI=1S/C21H13NO4/c23-19-13-8-4-5-9-14(13)20(24)17-15(19)10-11-16(21(25)26)18(17)22-12-6-2-1-3-7-12/h1-11,22H,(H,25,26)
InChI Key:
GNYBNEOJUARKPW-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1Nc1ccccc1)C(=O)c1c(C2=O)cccc1
NSC Number:
7578
Properties
Complexity:
583
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.084g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
343.338g/mol
Monoisotopic Mass:
343.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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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