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22027-96-9 | 3,4-Dimethoxy-5-nitrobenzaldehyde
CAS No: 22027-96-9 Catalog No: AG0070ZM MDL No:MFCD07776940
Product Description
Catalog Number:
AG0070ZM
Chemical Name:
3,4-Dimethoxy-5-nitrobenzaldehyde
CAS Number:
22027-96-9
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
MDL Number:
MFCD07776940
IUPAC Name:
3,4-dimethoxy-5-nitrobenzaldehyde
InChI:
InChI=1S/C9H9NO5/c1-14-8-4-6(5-11)3-7(10(12)13)9(8)15-2/h3-5H,1-2H3
InChI Key:
NOUWQZZKSKEHCI-UHFFFAOYSA-N
SMILES:
O=Cc1cc(OC)c(c(c1)[N+](=O)[O-])OC
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.173g/mol
Monoisotopic Mass:
211.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Reduction of nitrous oxide to dinitrogen by a mixed valent tricopper-disulfido cluster. | Journal of the American Chemical Society 20090304 |
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