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139677-51-3 | 4-Acridinecarboxylic acid, 9,10-dihydro-1-nitro-9-oxo-, methyl ester
CAS No: 139677-51-3 Catalog No: AG001BHV MDL No:
Product Description
Catalog Number:
AG001BHV
Chemical Name:
4-Acridinecarboxylic acid, 9,10-dihydro-1-nitro-9-oxo-, methyl ester
CAS Number:
139677-51-3
Molecular Formula:
C15H10N2O5
Molecular Weight:
298.2503
IUPAC Name:
methyl 1-nitro-9-oxo-10H-acridine-4-carboxylate
InChI:
InChI=1S/C15H10N2O5/c1-22-15(19)9-6-7-11(17(20)21)12-13(9)16-10-5-3-2-4-8(10)14(12)18/h2-7H,1H3,(H,16,18)
InChI Key:
GDEJXTKPWSSTGT-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c2c1[nH]c1ccccc1c2=O)[N+](=O)[O-]
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.059g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.254g/mol
Monoisotopic Mass:
298.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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