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Home > Nitro Compounds > 6622-95-3
6622-95-3 | 4-acetoxy-3-methoxy-omega-nitrostyrene
CAS No: 6622-95-3 Catalog No: AG00FI77 MDL No:
Product Description
Catalog Number:
AG00FI77
Chemical Name:
4-acetoxy-3-methoxy-omega-nitrostyrene
CAS Number:
6622-95-3
IUPAC Name:
[2-methoxy-4-[(E)-2-nitroethenyl]phenyl] acetate
InChI:
InChI=1S/C11H11NO5/c1-8(13)17-10-4-3-9(5-6-12(14)15)7-11(10)16-2/h3-7H,1-2H3/b6-5+
InChI Key:
OTVNMEHTSLGKMY-AATRIKPKSA-N
NSC Number:
54544
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
237.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.211g/mol
Monoisotopic Mass:
237.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| [Structure and antitubercular activity of some diphenyl esters]. | Farmakologiia i toksikologiia 19740101 |
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