Dimethyl 2-Methoxy-6-nitroterephthalate - CAS 1170079-15-8
Catalog: |
BB003830 |
Product Name: |
Dimethyl 2-Methoxy-6-nitroterephthalate |
CAS: |
1170079-15-8 |
Synonyms: |
2-methoxy-6-nitrobenzene-1,4-dicarboxylic acid dimethyl ester; dimethyl 2-methoxy-6-nitrobenzene-1,4-dicarboxylate |
IUPAC Name: | dimethyl 2-methoxy-6-nitrobenzene-1,4-dicarboxylate |
Description: | Dimethyl 2-Methoxy-6-nitroterephthalate (CAS# 1170079-15-8 ) is a useful research chemical. |
Molecular Weight: | 269.21 |
Molecular Formula: | C11H11NO7 |
Canonical SMILES: | COC1=CC(=CC(=C1C(=O)OC)[N+](=O)[O-])C(=O)OC |
InChI: | InChI=1S/C11H11NO7/c1-17-8-5-6(10(13)18-2)4-7(12(15)16)9(8)11(14)19-3/h4-5H,1-3H3 |
InChI Key: | JWHQHQADRATZSH-UHFFFAOYSA-N |
LogP: | 1.69980 |
Publication Number | Title | Priority Date |
WO-2010059549-A1 | Prolyl hydroxylase inhibitors | 20081118 |
EP-2240178-A1 | Prolyl hydroxylase inhibitors | 20071219 |
JP-2011507894-A | Prolyl hydroxylase inhibitor | 20071219 |
US-2010298324-A1 | Prolyl Hydroxylase Inhibitors | 20071219 |
WO-2009086044-A1 | Prolyl hydroxylase inhibitors | 20071219 |
Complexity: | 365 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 269.05355169 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 269.05355169 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 108 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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