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Home > Nitro Compounds > 129-39-5
129-39-5 | 9,10-Anthracenedione, 1,8-dinitro-
CAS No: 129-39-5 Catalog No: AG000YRI MDL No:MFCD00604817
Product Description
Catalog Number:
AG000YRI
Chemical Name:
9,10-Anthracenedione, 1,8-dinitro-
CAS Number:
129-39-5
Molecular Formula:
C14H6N2O6
Molecular Weight:
298.2072
MDL Number:
MFCD00604817
IUPAC Name:
1,8-dinitroanthracene-9,10-dione
InChI:
InChI=1S/C14H6N2O6/c17-13-7-3-1-5-9(15(19)20)11(7)14(18)12-8(13)4-2-6-10(12)16(21)22/h1-6H
InChI Key:
MBIJFIUDKPXMAV-UHFFFAOYSA-N
SMILES:
O=C1c2cccc(c2C(=O)c2c1cccc2[N+](=O)[O-])[N+](=O)[O-]
EC Number:
204-943-0
UNII:
P0846316GX
NSC Number:
37108
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.023g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.21g/mol
Monoisotopic Mass:
298.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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