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Home > Nitro Compounds > 22568-47-4
22568-47-4 | 1,2-dimethoxy-4-[(E)-2-nitroethenyl]benzene
CAS No: 22568-47-4 Catalog No: AG00INJ7 MDL No:MFCD00024823
Product Description
Catalog Number:
AG00INJ7
Chemical Name:
1,2-dimethoxy-4-[(E)-2-nitroethenyl]benzene
CAS Number:
22568-47-4
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
MDL Number:
MFCD00024823
IUPAC Name:
1,2-dimethoxy-4-(2-nitroethenyl)benzene
InChI:
InChI=1S/C10H11NO4/c1-14-9-4-3-8(5-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3
InChI Key:
SYJMYDMKPSZMSB-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)/C=C/[N+](=O)[O-]
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.201g/mol
Monoisotopic Mass:
209.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Synthesis and evaluation of alpha-hydroxymethylated conjugated nitroalkenes for their anticancer activity: inhibition of cell proliferation by targeting microtubules. | Bioorganic & medicinal chemistry 20061201 |
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