4,5-Dimethoxy-1-indanone - CAS 6342-80-9
Catalog: |
BB032142 |
Product Name: |
4,5-Dimethoxy-1-indanone |
CAS: |
6342-80-9 |
Synonyms: |
4,5-dimethoxy-2,3-dihydroinden-1-one |
IUPAC Name: | 4,5-dimethoxy-2,3-dihydroinden-1-one |
Description: | 4,5-Dimethoxy-1-indanone acts as a reagent for the preparation of thiosemicarbazones derived from 1-indanone as new anti-trypanosoma cruzi agents. |
Molecular Weight: | 192.21 |
Molecular Formula: | C11H12O3 |
Canonical SMILES: | COC1=C(C2=C(C=C1)C(=O)CC2)OC |
InChI: | InChI=1S/C11H12O3/c1-13-10-6-4-7-8(11(10)14-2)3-5-9(7)12/h4,6H,3,5H2,1-2H3 |
InChI Key: | XQODIRIVQXQUFN-UHFFFAOYSA-N |
Boiling Point: | 350.3 °C at 760 mmHg |
Melting Point: | 73-77 °C (lit.) |
Purity: | 95 % |
Density: | 1.179 g/cm3 |
Appearance: | White to yellow powder, crystals,crystalline powder and/or chunks |
MDL: | MFCD00463187 |
LogP: | 1.83270 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020102574-A1 | The compounds and compositions for treating conditions associated with nlrp activity | 20181116 |
CN-113227055-A | Compounds and compositions for treating conditions associated with NLRP activity | 20181116 |
EP-3880658-A1 | The compounds and compositions for treating conditions associated with nlrp activity | 20181116 |
US-2018002355-A1 | Benzocyclooctene-based and indene-based anticancer agents | 20160701 |
US-2018291043-A1 | Benzocyclooctene-based and indene-based anticancer agents | 20160701 |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.078644241 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 35.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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