| CAS Number | 78361-13-4 |
| Catalog Number | AG00ICXW |
| Chemical Name | 5-(2-Methoxyethoxy)-2-nitrobenzoic acid |
| IUPAC Name | 5-(2-methoxyethoxy)-2-nitrobenzoic acid |
| InChI | InChI=1S/C10H11NO6/c1-16-4-5-17-7-2-3-9(11(14)15)8(6-7)10(12)13/h2-3,6H,4-5H2,1H3,(H,12,13) |
| InChI Key | KIIRJRFGMLKNOI-UHFFFAOYSA-N |
| MDL Number | MFCD09811062 |
| Molecular Formula | C10H11NO6 |
| Molecular Weight | 241.1974 |
| SMILES | COCCOC1=CC=C(C(=C1)C(O)=O)[N+]([O-])=O |
| Synonyms | 5-(2-METHOXYETHOXY)-2-NITROBENZOIC ACID,
78361-13-4,
CTK7B3694,
AR3413,
MFCD09811062,
ZINC19396070,
AKOS000158002,
AS-45602,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.199g/mol |
| Monoisotopic Mass | 241.059g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number