3-[4-(3-Fluoropropoxy)phenyl]acrylic acid

Base Information

• Chemical Name: 3-[4-(3-Fluoropropoxy)phenyl]acrylic acid
• CAS No.: 695186-85-7
• Molecular Formula: C12H13FO3
• Molecular Weight: 224.23
• DSSTox Substance ID: DTXSID30420777
• Wikidata: Q82232068
• ChEMBL ID: CHEMBL1721342
• Mol file: 695186-85-7.mol

Synonyms:3-[4-(3-Fluoropropoxy)phenyl]acrylic acid;695186-85-7;(E)-3-[4-(3-fluoropropoxy)phenyl]prop-2-enoic acid;3-(4-(3-Fluoropropoxy)phenyl)acrylic acid;(e)-3-(4-(3-fluoropropoxy)phenyl)acrylic acid;(E)-3-[4-(3-fluoropropoxy)phenyl]-2-propenoic acid;(2E)-3-[4-(3-fluoropropoxy)phenyl]prop-2-enoic acid;MLS000755280;SCHEMBL6822272;CHEMBL1721342;DTXSID30420777;HMS2640J18;VCB18685;MFCD02082811;AKOS005069656;SMR000338157;3-(4-(3-Fluoropropoxy)phenyl)acrylicacid;3-[4-(3-fluoro-propoxy)-phenyl]-acrylic acid;12P-093;J-501899

Chemical Property of 3-[4-(3-Fluoropropoxy)phenyl]acrylic acid

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 224.08487243
• Heavy Atom Count: 16
• Complexity: 232

Purity/Quality:

98%min ^*data from raw suppliers

3-[4-(3-Fluoropropoxy)phenyl]acrylic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=CC(=O)O)OCCCF
• Isomeric SMILES: C1=CC(=CC=C1/C=C/C(=O)O)OCCCF