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Home > Nitro Compounds > 68437-03-6
68437-03-6 | 9,10-Anthracenedione,1,8-dihydroxydinitro- (9CI)
CAS No: 68437-03-6 Catalog No: AG005QE5 MDL No:
Product Description
Catalog Number:
AG005QE5
Chemical Name:
9,10-Anthracenedione,1,8-dihydroxydinitro- (9CI)
CAS Number:
68437-03-6
Molecular Formula:
C14H6N2O8
Molecular Weight:
330.2060
IUPAC Name:
1,8-dihydroxy-2,3-dinitroanthracene-9,10-dione
InChI:
InChI=1S/C14H6N2O8/c17-8-3-1-2-5-9(8)13(19)10-6(12(5)18)4-7(15(21)22)11(14(10)20)16(23)24/h1-4,17,20H
InChI Key:
ZCRVFYDOGREPHB-UHFFFAOYSA-N
SMILES:
Oc1cccc2c1C(=O)c1c(C2=O)cc(c(c1O)[N+](=O)[O-])[N+](=O)[O-]
EC Number:
270-401-5
Properties
Complexity:
597
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.012g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
330.208g/mol
Monoisotopic Mass:
330.012g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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