2,3,7,8-Tetrahydro-as-indacen-1(6H)-one - CAS 14927-65-2
Catalog: |
BB010393 |
Product Name: |
2,3,7,8-Tetrahydro-as-indacen-1(6H)-one |
CAS: |
14927-65-2 |
Synonyms: |
3,6,7,8-tetrahydro-2H-as-indacen-1-one; 3,6,7,8-tetrahydro-2H-as-indacen-1-one |
IUPAC Name: | 3,6,7,8-tetrahydro-2H-as-indacen-1-one |
Description: | 2,3,7,8-Tetrahydro-as-indacen-1(6H)-one (CAS# 14927-65-2) is a useful research chemical. |
Molecular Weight: | 172.22 |
Molecular Formula: | C12H12O |
Canonical SMILES: | C1CC2=C(C1)C3=C(CCC3=O)C=C2 |
InChI: | InChI=1S/C12H12O/c13-11-7-6-9-5-4-8-2-1-3-10(8)12(9)11/h4-5H,1-3,6-7H2 |
InChI Key: | QDEISAZPXZUVLZ-UHFFFAOYSA-N |
LogP: | 2.30420 |
Publication Number | Title | Priority Date |
WO-2020102576-A1 | Compounds and compositions for treating conditions associated with nlrp activity | 20181116 |
WO-2010041271-A2 | Process for preparation of (s)-n-[2-(1,6,7,8-tetrahydro-2h-indeno[5,4-b]furan-8-yl)ethyl] propionamide and novel intermediates thereof | 20080916 |
Complexity: | 233 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.088815002 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.088815002 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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