2-Propenoic acid, 3-(4,5,6,7-tetrahydro-4-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-2-benzofuranyl)-

Base Information

• Chemical Name: 2-Propenoic acid, 3-(4,5,6,7-tetrahydro-4-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-2-benzofuranyl)-
• CAS No.: 503620-39-1
• Molecular Formula: C25H30O3
• Molecular Weight: 378.5
• UNII: YJA4D2G471
• DSSTox Substance ID: DTXSID00431714
• Nikkaji Number: J2.795.644K
• Wikidata: Q27149150
• Pharos Ligand ID: Y5Y4XZUS4NDX
• ChEMBL ID: CHEMBL62880
• Mol file: 503620-39-1.mol

Synonyms:503620-39-1;GW-0791;UNII-YJA4D2G471;YJA4D2G471;GW0791;CHEMBL62880;CHEBI:80001;2-Propenoic acid, 3-(4,5,6,7-tetrahydro-4-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-2-benzofuranyl)-;936713-53-0;GW 0791;(E)-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-2-yl]prop-2-enoic acid;SCHEMBL5356750;SCHEMBL5356754;DTXSID00431714;WRWCAQNPEXYGJK-PKNBQFBNSA-N;BDBM50143826;AKOS040746873;Q27149150;(E)-3-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-4,5,6,7-tetrahydro-benzofuran-2-yl]-acrylic acid;2-Propenoic acid, 3-[4,5,6,7-tetrahydro-4-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-2-benzofuranyl]-, (2E)-;3-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-4,5,6,7-tetrahydro-benzofuran-2-yl]-

Chemical Property of 2-Propenoic acid, 3-(4,5,6,7-tetrahydro-4-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-2-benzofuranyl)-

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 378.21949481
• Heavy Atom Count: 28
• Complexity: 619

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(CCC(C2=C1C=CC(=C2)C3CCCC4=C3C=C(O4)C=CC(=O)O)(C)C)C
• Isomeric SMILES: CC1(CCC(C2=C1C=CC(=C2)C3CCCC4=C3C=C(O4)/C=C/C(=O)O)(C)C)C