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24929-25-7 | 9H-Fluorene-2-carboxylic acid, 4,5,7-trinitro-9-oxo-
CAS No: 24929-25-7 Catalog No: AG002PWB MDL No:
Product Description
Catalog Number:
AG002PWB
Chemical Name:
9H-Fluorene-2-carboxylic acid, 4,5,7-trinitro-9-oxo-
CAS Number:
24929-25-7
Molecular Formula:
C14H5N3O9
Molecular Weight:
359.2042
IUPAC Name:
4,5,7-trinitro-9-oxofluorene-2-carboxylic acid
InChI:
InChI=1S/C14H5N3O9/c18-13-7-1-5(14(19)20)2-9(16(23)24)11(7)12-8(13)3-6(15(21)22)4-10(12)17(25)26/h1-4H,(H,19,20)
InChI Key:
OMIAKMRFSBNNLP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2C(=O)c3c(c2c(c1)[N+](=O)[O-])c(cc(c3)C(=O)O)[N+](=O)[O-]
Properties
Complexity:
679
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.003g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
359.206g/mol
Monoisotopic Mass:
359.003g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
192A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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