| CAS Number | 863226-26-0 |
| Catalog Number | AG00IVHP(AGN-PC-08V1A1) |
| Chemical Name | Methyl 2-methoxy-5-methyl-3-nitrobenzoate |
| IUPAC Name | methyl 2-methoxy-5-methyl-3-nitrobenzoate |
| InChI | InChI=1S/C10H11NO5/c1-6-4-7(10(12)16-3)9(15-2)8(5-6)11(13)14/h4-5H,1-3H3 |
| InChI Key | URMHYERNBFGIOU-UHFFFAOYSA-N |
| MDL Number | MFCD14560554 |
| Molecular Formula | C10H11NO5 |
| Molecular Weight | 225.198 |
| SMILES | O=[N+]([O-])C1(=C(OC)C(C(=O)OC)=CC(=C1)C) |
| Synonyms | methyl 2-methoxy-5-methyl-3-nitrobenzenecarboxylate,
methyl 2-methoxy-5-methyl-3-nitrobenzoate,
863226-26-0,
CTK6I9100,
DTXSID50678894,
KS-000029QB,
0974AF,
MFCD14560554,
SBB096809,
ZINC43828163,
AKOS005073759,
ND-0036,
RP12991,
methylmethoxymethylnitrobenzenecarboxylate,
AJ-108998,
TR-070758,
CS-0077283,
J-522035,
C10H11NO5,
|
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.2g/mol |
| Monoisotopic Mass | 225.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 81.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number