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17431-97-9 | Propanoic acid, 2-methyl-2-(4-nitrophenoxy)-
CAS No: 17431-97-9 Catalog No: AG001ZLJ MDL No:MFCD03422282
Product Description
Catalog Number:
AG001ZLJ
Chemical Name:
Propanoic acid, 2-methyl-2-(4-nitrophenoxy)-
CAS Number:
17431-97-9
Molecular Formula:
C10H11NO5
Molecular Weight:
225.1980
MDL Number:
MFCD03422282
IUPAC Name:
2-methyl-2-(4-nitrophenoxy)propanoic acid
InChI:
InChI=1S/C10H11NO5/c1-10(2,9(12)13)16-8-5-3-7(4-6-8)11(14)15/h3-6H,1-2H3,(H,12,13)
InChI Key:
ZGQMZVWPCVHENS-UHFFFAOYSA-N
SMILES:
OC(=O)C(Oc1ccc(cc1)[N+](=O)[O-])(C)C
NSC Number:
34009
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.2g/mol
Monoisotopic Mass:
225.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| 2-Methyl-2-(4-nitro-phen-oxy)propanoic acid. | Acta crystallographica. Section E, Structure reports online 20081201 |
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