(2E)-3-{4-methoxy-3-[(4-methyl-1H-pyrazol-1-yl)methyl]phenyl}acrylic acid

Base Information

• Chemical Name: (2E)-3-{4-methoxy-3-[(4-methyl-1H-pyrazol-1-yl)methyl]phenyl}acrylic acid
• CAS No.: 1020050-92-3
• Molecular Formula: C15H16N2O3
• Molecular Weight: 272.30
• Mol file: 1020050-92-3.mol

Synonyms:1020050-92-3;(2E)-3-{4-methoxy-3-[(4-methyl-1H-pyrazol-1-yl)methyl]phenyl}acrylic acid;(2E)-3-(4-Methoxy-3-[(4-methyl-1h-pyrazol-1-yl)methyl]phenyl)acrylic acid;(E)-3-[4-methoxy-3-[(4-methylpyrazol-1-yl)methyl]phenyl]prop-2-enoic acid;(2E)-3-{4-methoxy-3-[(4-methyl-1H-pyrazol-1-yl)methyl]phenyl}prop-2-enoic acid;3-[4-Methoxy-3-(4-methylpyrazol-1-ylmethyl)phenyl]acrylic acid;BBL015898;MFCD06801420;STL163892;AKOS002160492;VS-05068;CS-0363088;(E)-3-(4-methoxy-3-((4-methyl-1H-pyrazol-1-yl)methyl)phenyl)acrylic acid;(2E)-3-{4-Methoxy-3-[(4-methyl-1H-pyrazol-1-yl)-methyl]phenyl}acrylic acid;1842403-76-2

Chemical Property of (2E)-3-{4-methoxy-3-[(4-methyl-1H-pyrazol-1-yl)methyl]phenyl}acrylic acid

Chemical Property:

• PKA: 4.56±0.10(Predicted)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 272.11609238
• Heavy Atom Count: 20
• Complexity: 359

Purity/Quality:

98%min ^*data from raw suppliers

(2E)-3-{4-Methoxy-3-[(4-methyl-1H-pyrazol-1-yl)-methyl]phenyl}acrylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CN(N=C1)CC2=C(C=CC(=C2)C=CC(=O)O)OC
• Isomeric SMILES: CC1=CN(N=C1)CC2=C(C=CC(=C2)/C=C/C(=O)O)OC