3-{4-[(Furan-2-ylmethyl)sulfamoyl]phenyl}prop-2-enoic Acid - CAS 391229-93-9
Catalog: |
BB064496 |
Product Name: |
3-{4-[(Furan-2-ylmethyl)sulfamoyl]phenyl}prop-2-enoic Acid |
CAS: |
391229-93-9 |
Synonyms: |
3-{4-[(Furan-2-ylmethyl)-sulfamoyl]-phenyl}-acrylic acid; (E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoic acid; 3-(4-[(Furan-2-ylmethyl)-sulfamoyl]-phenyl)-acrylic acid |
IUPAC Name: | (E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoic acid |
Description: | 3-{4-[(Furan-2-ylmethyl)sulfamoyl]phenyl}prop-2-enoic Acid is a useful research chemical. |
Molecular Weight: | 307.32 |
Molecular Formula: | C14H13NO5S |
Canonical SMILES: | C1=COC(=C1)CNS(=O)(=O)C2=CC=C(C=C2)C=CC(=O)O |
InChI: | InChI=1S/C14H13NO5S/c16-14(17)8-5-11-3-6-13(7-4-11)21(18,19)15-10-12-2-1-9-20-12/h1-9,15H,10H2,(H,16,17)/b8-5+ |
InChI Key: | VIBKQPVIIPWFQU-VMPITWQZSA-N |
Complexity: | 474 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 307.05144369 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 307.05144369 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 105Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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