6,7,8,9-Tetrahydro-5H-benzo[7]annulen-7-one - CAS 37949-03-4
Catalog: |
BB023471 |
Product Name: |
6,7,8,9-Tetrahydro-5H-benzo[7]annulen-7-one |
CAS: |
37949-03-4 |
Synonyms: |
5,6,8,9-tetrahydrobenzo[7]annulen-7-one; 5,6,8,9-tetrahydrobenzo[7]annulen-7-one |
IUPAC Name: | 5,6,8,9-tetrahydrobenzo[7]annulen-7-one |
Description: | 6,7,8,9-Tetrahydro-5H-benzo[7]annulen-7-one (CAS# 37949-03-4) is a reactant in the preparation of benzo[7]annulen-7-amines with GluN2B affinity and selectivity. |
Molecular Weight: | 160.21 |
Molecular Formula: | C11H12O |
Canonical SMILES: | C1CC2=CC=CC=C2CCC1=O |
InChI: | InChI=1S/C11H12O/c12-11-7-5-9-3-1-2-4-10(9)6-8-11/h1-4H,5-8H2 |
InChI Key: | MRLBDJHIJZHYMK-UHFFFAOYSA-N |
MDL: | MFCD09867716 |
LogP: | 2.13450 |
Publication Number | Title | Priority Date |
WO-2015025962-A1 | Amidine compound or salt thereof | 20130823 |
US-2015111914-A1 | Spirolactam cgrp receptor antagonists | 20120509 |
US-9296750-B2 | Spirolactam CGRP receptor antagonists | 20120509 |
AU-2010223937-A1 | Inhibitors of beta-secretase | 20090313 |
AU-2010223937-B2 | Inhibitors of beta-secretase | 20090313 |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.088815002 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.088815002 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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