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3-(4-Biphenyl)propionic Acid

CAT: 0572-TRC-B397855-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B397855-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
35888-99-4
Synonyms
3-(Biphenyl-4-yl)propanoic Acid; 3-(p-Biphenyl)propionic Acid; 4-Biphenylpropionic Acid; p-Phenylhydrocinnamic Acid
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
CCC1=C(C)CN(C(=O)NCCc2ccccc2S(=O)(=O)NC(=O)NC3CCC(C)CC3)C1=O
Molecular Formula
C24 H34 N4 O5 S
Molecular Weight
490.616
InChI
InChI=1S/C24H34N4O5S/c1-4-20-17(3)15-28(22(20)29)24(31)25-14-13-18-7-5-6-8-21(18)34(32,33)27-23(30)26-19-11-9-16(2)10-12-19/h5-8,16,19H,4,9-15H2,1-3H3,(H,25,31)(H2,26,27,30)
Additionnal Information
IUPAC name: 4-ethyl-3-methyl-N-[2-[2-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-5-oxo-2H-pyrrole-1-carboxamide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2(4-Biphenyl)propionic acid
CAS Number35888-99-4
PubChem CID3082434
IUPAC Name3-(4-phenylphenyl)propanoic acid
Molecular FormulaC15H14O2
Molecular Weight226.27
XLogP3.5
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity235
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)CCC(=O)O
InChI
InChI=1S/C15H14O2/c16-15(17)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13/h1-7,9-10H,8,11H2,(H,16,17)
InChIKey
MVFHRQWYCXYYMU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2(4-Biphenyl)propionic acid
CAS: 35888-99-4
CID: 3082434
Formula: C15H14O2
MW: 226.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.27
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass226.099379685
Monoisotopic Mass226.099379685
Topological Polar Surface Area37.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity235
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
422755-013- (4-Biphenyl) propionic Acid
sc-3101873- (Biphenyl-4-sulfonyl) -propionic acid
GTR19254230-012 (4-Biphenyl) propionic acid
sc-288913A3-Amino-3-biphenyl-4-yl-propionic acid
sc-3106643-[2- (Biphenyl-4-yloxy) -acetylamino]-propionic acid
sc-3059772-[ (Biphenyl-4-carbonyl) -amino]-propionic acid
sc-3223843-Biphenyl-4-yl-3-oxo-propionic acid methyl ester
sc-3223833-Biphenyl-4-yl-3-oxo-propionic acid ethyl ester
OR452032-012-Amino-3-biphenyl-3-yl-propionic acid
sc-3059002- (Biphenyl-2-yloxy) -propionic acid

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