6-Methoxy-7-nitro-1-indanone - CAS 196597-96-3
Catalog: |
BB015203 |
Product Name: |
6-Methoxy-7-nitro-1-indanone |
CAS: |
196597-96-3 |
Synonyms: |
6-methoxy-7-nitro-2,3-dihydroinden-1-one |
IUPAC Name: | 6-methoxy-7-nitro-2,3-dihydroinden-1-one |
Description: | 6-Methoxy-7-nitro-1-indanone (CAS# 196597-96-3 ) is a useful research chemical. |
Molecular Weight: | 207.18 |
Molecular Formula: | C10H9NO4 |
Canonical SMILES: | COC1=C(C2=C(CCC2=O)C=C1)[N+](=O)[O-] |
InChI: | InChI=1S/C10H9NO4/c1-15-8-5-3-6-2-4-7(12)9(6)10(8)11(13)14/h3,5H,2,4H2,1H3 |
InChI Key: | VJEWECISSPCJAV-UHFFFAOYSA-N |
Boiling Point: | 397.717 °C at 760 mmHg |
Density: | 1.373 g/cm3 |
LogP: | 2.25550 |
Publication Number | Title | Priority Date |
EP-2220084-B1 | Inhibitors of human immunodeficiency virus replication | 20071116 |
EP-2757096-A1 | Inhibitors of human immunodeficiency virus replication | 20071116 |
EP-2757096-A9 | Inhibitors of human immunodeficiency virus replication | 20071116 |
US-2010311735-A1 | Inhibitors of human immunodeficiency virus replication | 20071116 |
US-2011118249-A1 | Inhibitors of human immunodeficiency virus replication | 20071116 |
Complexity: | 286 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.05315777 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.05315777 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 72.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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