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85444-81-1 | Acetic acid,2-(3-methyl-4-nitrophenoxy)-
CAS No: 85444-81-1 Catalog No: AG004SWC MDL No:MFCD03422206
Product Description
Catalog Number:
AG004SWC
Chemical Name:
Acetic acid,2-(3-methyl-4-nitrophenoxy)-
CAS Number:
85444-81-1
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
MDL Number:
MFCD03422206
IUPAC Name:
2-(3-methyl-4-nitrophenoxy)acetic acid
InChI:
InChI=1S/C9H9NO5/c1-6-4-7(15-5-9(11)12)2-3-8(6)10(13)14/h2-4H,5H2,1H3,(H,11,12)
InChI Key:
ZCGFXEDUXQCHRZ-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc(c(c1)C)[N+](=O)[O-]
Properties
Complexity:
249
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:
1
Isotope Atom Count:
0
Molecular Weight:
211.173g/mol
Monoisotopic Mass:
211.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| First preparation of biotinylated gradient polyethylene surface to bind photoactive caged streptavidin. | Langmuir : the ACS journal of surfaces and colloids 20050426 |
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