6,7,8,9-Tetrahydro-5H-benzo[7]annulene-5-carboxylic Acid - CAS 14378-56-4
Catalog: |
BB009668 |
Product Name: |
6,7,8,9-Tetrahydro-5H-benzo[7]annulene-5-carboxylic Acid |
CAS: |
14378-56-4 |
Synonyms: |
6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-carboxylic acid; 6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-carboxylic acid |
IUPAC Name: | 6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-carboxylic acid |
Description: | 6,7,8,9-Tetrahydro-5H-benzo[7]annulene-5-carboxylic Acid (CAS# 14378-56-4) is a useful research chemical. |
Molecular Weight: | 190.24 |
Molecular Formula: | C12H14O2 |
Canonical SMILES: | C1CCC2=CC=CC=C2C(C1)C(=O)O |
InChI: | InChI=1S/C12H14O2/c13-12(14)11-8-4-2-6-9-5-1-3-7-10(9)11/h1,3,5,7,11H,2,4,6,8H2,(H,13,14) |
InChI Key: | IWWVDVJJFIJZQE-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-2017123518-A1 | Aminotriazole immunomodulators for treating autoimmune diseases | 20160111 |
US-2009118283-A1 | Amide Derivatives as Kinase Inhibitors | 20050711 |
US-2010168102-A9 | Amide Derivatives as Kinase Inhibitors | 20050711 |
WO-2007006546-A1 | Amide derivatives as kinase inhibitors | 20050711 |
US-2005054630-A1 | Fused bicyclic carboxamide derivatives and methods of their use | 20030828 |
Complexity: | 212 |
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: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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