5-Methoxy-1-indanone-3-acetic acid - CAS 24467-92-3
Catalog: |
BB018494 |
Product Name: |
5-Methoxy-1-indanone-3-acetic acid |
CAS: |
24467-92-3 |
Synonyms: |
2-(6-methoxy-3-oxo-1,2-dihydroinden-1-yl)acetic acid |
IUPAC Name: | 2-(6-methoxy-3-oxo-1,2-dihydroinden-1-yl)acetic acid |
Description: | 5-Methoxy-1-indanone-3-acetic acid (CAS# 24467-92-3) is a useful research chemical. |
Molecular Weight: | 220.22 |
Molecular Formula: | C12H12O4 |
Canonical SMILES: | COC1=CC2=C(C=C1)C(=O)CC2CC(=O)O |
InChI: | InChI=1S/C12H12O4/c1-16-8-2-3-9-10(6-8)7(4-11(9)13)5-12(14)15/h2-3,6-7H,4-5H2,1H3,(H,14,15) |
InChI Key: | QOTZOFGBBCMWEP-UHFFFAOYSA-N |
Boiling Point: | 428.7 °C at 760 mmHg |
Melting Point: | 139-144 °C (lit.) |
Purity: | 95 % |
Density: | 1.286 g/cm3 |
Appearance: | Tan powder |
MDL: | MFCD00003787 |
LogP: | 1.83990 |
Publication Number | Title | Priority Date |
WO-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
WO-2014079850-A1 | Substituted heterocyclic derivatives | 20121123 |
US-2015239931-A1 | Inhibitors of protein tyrosine phosphatases | 20121004 |
US-9340574-B2 | Inhibitors of protein tyrosine phosphatases | 20121004 |
WO-2014055768-A1 | Inhibitors of protein tyrosine phosphatases | 20121004 |
Complexity: | 299 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.07355886 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 63.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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