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1206-55-9 | 3,6-Dimethoxy-2-nitrobenzaldehyde
CAS No: 1206-55-9 Catalog No: AG0075HD MDL No:MFCD00091893
Product Description
Catalog Number:
AG0075HD
Chemical Name:
3,6-Dimethoxy-2-nitrobenzaldehyde
CAS Number:
1206-55-9
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
MDL Number:
MFCD00091893
IUPAC Name:
3,6-dimethoxy-2-nitrobenzaldehyde
InChI:
InChI=1S/C9H9NO5/c1-14-7-3-4-8(15-2)9(10(12)13)6(7)5-11/h3-5H,1-2H3
InChI Key:
IOHYBMYWODOPEY-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1[N+](=O)[O-])C=O)OC
NSC Number:
107746
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 |
|---|---|
| Studies on quinones. Part 37. Synthesis and biological activity of o-aminoester functionalised benzo- and naphtho[2,3-b]thiophenequinones. | Chemical & pharmaceutical bulletin 20020901 |
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