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39909-72-3 | 1,4-Benzenedicarboxaldehyde, 2-nitro-
CAS No: 39909-72-3 Catalog No: AG0076K5 MDL No:MFCD01110302
Product Description
Catalog Number:
AG0076K5
Chemical Name:
1,4-Benzenedicarboxaldehyde, 2-nitro-
CAS Number:
39909-72-3
Molecular Formula:
C8H5NO4
Molecular Weight:
179.1296
MDL Number:
MFCD01110302
IUPAC Name:
2-nitroterephthalaldehyde
InChI:
InChI=1S/C8H5NO4/c10-4-6-1-2-7(5-11)8(3-6)9(12)13/h1-5H
InChI Key:
XKJZDFJGFMPBBG-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)[N+](=O)[O-])C=O
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.022g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.131g/mol
Monoisotopic Mass:
179.022g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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