3-(Pyrimidin-2-yl)acrylic acid

Base Information

• Chemical Name: 3-(Pyrimidin-2-yl)acrylic acid
• CAS No.: 408533-41-5
• Molecular Formula: C7H6N2O2
• Molecular Weight: 150.13474
• DSSTox Substance ID: DTXSID30557754
• Wikidata: Q82439753
• Mol file: 408533-41-5.mol

Synonyms:3-(Pyrimidin-2-yl)acrylic acid;408533-41-5;(E)-3-(pyrimidin-2-yl)acrylic acid;(E)-3-pyrimidin-2-ylprop-2-enoic acid;3-(2-Pyrimidinyl)-2-propenoic acid;MFCD18816220;2-Propenoic acid, 3-(2-pyrimidinyl)- (9CI);3-(Pyrimidin-2-yl)acrylicacid;SCHEMBL1368017;SCHEMBL1368018;DTXSID30557754;(E)-3-pyrimidin-2-yl-acrylic acid;AKOS015917253;BS-42871;(2E)-3-(2-pyrimidinyl)-2-propenoic acid;2-Propenoic acid,3-(2-pyrimidinyl)-(9ci);(2E)-3-(Pyrimidin-2-yl)prop-2-enoic acid;3-(PYRIMIDIN-2-YL)PROP-2-ENOIC ACID;EN300-141486;P18972

Chemical Property of 3-(Pyrimidin-2-yl)acrylic acid

Chemical Property:

• PSA: 63.08000
• LogP: 0.57440
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 150.042927438
• Heavy Atom Count: 11
• Complexity: 162

Purity/Quality:

97% ^*data from raw suppliers

3-(2-Pyrimidinyl)-2-propenoicacid 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C(N=C1)C=CC(=O)O
• Isomeric SMILES: C1=CN=C(N=C1)/C=C/C(=O)O