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Flurbiprofen Related Compound A

CAT: 0926-GAA34172-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-GAA34172-01Size:250 mg
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CAS Number
6341-72-6
MDL Number
MFCD00156944
Smiles
CC (C1=CC=C (C=C1) C2=CC=CC=C2) C (=O) O
Molecular Formula
C15H14O2
Molecular Weight
226.27 g/mol
Controlled
No

Chemical Information

alpha-Methyl(1,1'-biphenyl)-4-acetic acid
CAS Number6341-72-6
PubChem CID22810
IUPAC Name2-(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 Count3
Heavy Atom Count17
Formal Charge0
Complexity248
SMILES
CC(C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C15H14O2/c1-11(15(16)17)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,16,17)
InChIKey
JALUUBQFLPUJMY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of alpha-Methyl(1,1'-biphenyl)-4-acetic acid
CAS: 6341-72-6
CID: 22810
Formula: C15H14O2
MW: 226.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight226.27
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass226.099379685
Monoisotopic Mass226.099379685
Topological Polar Surface Area37.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity248
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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