6,7,8,9-Tetrahydro-5H-benzo[7]annulene-7-carboxylic Acid - CAS 1400229-72-2
Catalog: |
BB009018 |
Product Name: |
6,7,8,9-Tetrahydro-5H-benzo[7]annulene-7-carboxylic Acid |
CAS: |
1400229-72-2 |
Synonyms: |
6,7,8,9-tetrahydro-5H-benzo[7]annulene-7-carboxylic acid; 6,7,8,9-tetrahydro-5H-benzo[7]annulene-7-carboxylic acid |
IUPAC Name: | 6,7,8,9-tetrahydro-5H-benzo[7]annulene-7-carboxylic acid |
Description: | 6,7,8,9-Tetrahydro-5H-benzo[7]annulene-7-carboxylic Acid (CAS# 1400229-72-2) is used to prepare substituted bicyclic arylamide CB1 receptor antagonists and/or inverse agonists for use as psychotropic drugs. |
Molecular Weight: | 190.24 |
Molecular Formula: | C12H14O2 |
Canonical SMILES: | C1CC2=CC=CC=C2CCC1C(=O)O |
InChI: | InChI=1S/C12H14O2/c13-12(14)11-7-5-9-3-1-2-4-10(9)6-8-11/h1-4,11H,5-8H2,(H,13,14) |
InChI Key: | FGVCREOLYLRJCU-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019154956-A1 | Non-fused thiophene derivatives and their uses | 20180208 |
AU-2019219123-A1 | Non-fused thiophene derivatives and their uses | 20180208 |
EP-3749650-A1 | Non-fused thiophene derivatives and their uses | 20180208 |
IL-275893-D0 | History of uncoordinated drumming and their uses | 20180208 |
KR-20200141026-A | Non-fused thiophene derivatives and uses thereof | 20180208 |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.099379685 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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