5,6-Methylenedioxy-1-indanone - CAS 6412-87-9
Catalog: |
BB032374 |
Product Name: |
5,6-Methylenedioxy-1-indanone |
CAS: |
6412-87-9 |
Synonyms: |
5,6-dihydrocyclopenta[f][1,3]benzodioxol-7-one |
IUPAC Name: | 5,6-dihydrocyclopenta[f][1,3]benzodioxol-7-one |
Description: | 5,6-Methylenedioxy-1-indanone (CAS# 6412-87-9) is a useful research chemical. |
Molecular Weight: | 176.17 |
Molecular Formula: | C10H8O3 |
Canonical SMILES: | C1CC(=O)C2=CC3=C(C=C21)OCO3 |
InChI: | InChI=1S/C10H8O3/c11-8-2-1-6-3-9-10(4-7(6)8)13-5-12-9/h3-4H,1-2,5H2 |
InChI Key: | LKLNTTMWFRNYLE-UHFFFAOYSA-N |
Boiling Point: | 344.9 ℃ at 760 mmHg |
Melting Point: | 162-166 ℃ |
Purity: | 95 % |
Density: | 1.395 g/cm3 |
MDL: | MFCD01925052 |
LogP: | 1.54420 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3612030-A2 | Indole ahr inhibitors and uses thereof | 20170421 |
JP-2020517734-A | Indole AHR inhibitors and uses thereof | 20170421 |
KR-20190141722-A | Indole AHR Inhibitors and Uses thereof | 20170421 |
US-10570138-B2 | Indole AHR inhibitors and uses thereof | 20170421 |
US-10689388-B1 | Indole AHR inhibitors and uses thereof | 20170421 |
Complexity: | 238 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.047344113 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.047344113 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 35.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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