| CAS Number | 30578-88-2 |
| Catalog Number | AG01DBND(AGN-PC-0IFYAM) |
| Chemical Name | Methyl 2,6-dihydroxy-3-nitrobenzoate |
| IUPAC Name | methyl 2,6-dihydroxy-3-nitrobenzoate |
| InChI | InChI=1S/C8H7NO6/c1-15-8(12)6-5(10)3-2-4(7(6)11)9(13)14/h2-3,10-11H,1H3 |
| InChI Key | VFGXSVIWUUDBSU-UHFFFAOYSA-N |
| MDL Number | MFCD30489763 |
| Molecular Formula | C8H7NO6 |
| Molecular Weight | 213.1443 |
| SMILES | COC(C1=C(O)C([N+]([O-])=O)=CC=C1O)=O |
| Synonyms | methyl 2,6-dihydroxy-3-nitrobenzoate,
30578-88-2,
SCHEMBL5621510,
VFGXSVIWUUDBSU-UHFFFAOYSA-N,
CS-W000061,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.027337g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.14g/mol |
| Monoisotopic Mass | 213.027337g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 113Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number