| CAS Number | 879361-47-4 |
| Catalog Number | AG019PN1 |
| Chemical Name | 5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzoic acid |
| IUPAC Name | 5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzoic acid |
| InChI | InChI=1S/C11H13NO7/c1-17-3-4-19-10-6-8(12(15)16)7(11(13)14)5-9(10)18-2/h5-6H,3-4H2,1-2H3,(H,13,14) |
| InChI Key | IVXTUVDBRCQWGF-UHFFFAOYSA-N |
| MDL Number | MFCD08262814 |
| Molecular Formula | C11H13NO7 |
| Molecular Weight | 271.2234 |
| SMILES | COCCOC1=C(OC)C=C(C(O)=O)C([N+]([O-])=O)=C1 |
| Synonyms | 5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzoic acid,
879361-47-4,
AC1Q4GAY,
CTK5I2850,
ZINC8390415,
AKOS009092291,
MCULE-6723753051,
NE39991,
EN300-24409,
Z199409066,
CID9504023,
5-methoxy-4-(2-methoxyethoxy)-2-nitro-benzoic Acid,
|
| Complexity | 317 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.225g/mol |
| Monoisotopic Mass | 271.069g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 111A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number