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Diphenylacetic acid

CAT: 0063-48489711-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0063-48489711-01Size:25 g
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CAS Number
117-34-0

Chemical Information

Diphenylacetic Acid

Diphenylacetic acid is a monocarboxylic acid that is acetic acid where the methyl hydrogens have been replaced by two phenyl groups respectively. It has a role as a xenobiotic metabolite. It is functionally related to an acetic acid.

CAS Number117-34-0
PubChem CID8333
IUPAC Name2,2-diphenylacetic acid
Molecular FormulaC14H12O2
Molecular Weight212.24
XLogP3.1
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity207
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C14H12O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,15,16)
InChIKey
PYHXGXCGESYPCW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diphenylacetic Acid
CAS: 117-34-0
CID: 8333
Formula: C14H12O2
MW: 212.24
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight212.24
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass212.083729621
Monoisotopic Mass212.083729621
Topological Polar Surface Area37.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity207
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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FD52483Diphenylacetic acid
D49570-01Diphenylacetic acid 97%
237382-01Diphenylacetic acid 99+% (HPLC)
AQ A3 0001-012-azido-2,2-diphenylacetic acid
sc-2253562-Ethylthio-2,2-diphenylacetic acid
OR95920-012-Amino-2,2-diphenylacetic acid
HY-W023985R2-Amino-2,2-diphenylacetic acid (Standard)
BAA76046-01Diphenylacetic Anhydride
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