Methyl 4,5-dimethoxy-2-nitrobenzoate - CAS 26791-93-5
Catalog: |
BB019364 |
Product Name: |
Methyl 4,5-dimethoxy-2-nitrobenzoate |
CAS: |
26791-93-5 |
Synonyms: |
methyl 4,5-dimethoxy-2-nitrobenzoate |
IUPAC Name: | methyl 4,5-dimethoxy-2-nitrobenzoate |
Description: | Methyl 4,5-dimethoxy-2-nitrobenzoate (CAS# 26791-93-5) is a useful research chemical. |
Molecular Weight: | 241.20 |
Molecular Formula: | C10H11NO6 |
Canonical SMILES: | COC1=C(C=C(C(=C1)C(=O)OC)[N+](=O)[O-])OC |
InChI: | InChI=1S/C10H11NO6/c1-15-8-4-6(10(12)17-3)7(11(13)14)5-9(8)16-2/h4-5H,1-3H3 |
InChI Key: | SYYKLKHBZGFKOC-UHFFFAOYSA-N |
Boiling Point: | 381.4 ℃ at 760 mmHg |
Melting Point: | 141-144 ℃ |
Purity: | 97+ % |
Density: | 1.288 g/cm3 |
MDL: | MFCD00007239 |
LogP: | 1.92180 |
Publication Number | Title | Priority Date |
EP-3668863-A1 | Tricyclic compounds as histone methyl-transferase inhibitors | 20170815 |
TW-201920136-A | Tricyclic compound as a histone methyltransferase inhibitor | 20170815 |
WO-2019036377-A1 | TRICYCLIC COMPOUNDS AS HISTONE INHIBITORS METHYLTRANSFERASES | 20170815 |
CN-111372927-A | Tricyclic compounds as histone methyltransferase inhibitors | 20170815 |
JP-2020531423-A | Tricyclic compounds as histone methyltransferase inhibitors | 20170815 |
Complexity: | 289 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.05863707 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.05863707 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 90.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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