Triphenylacetic acid

CAT: 1489-T6600Size: 1 gDry Ice: NoHazardous: No

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CAT#:1489-T6600Size:1 g

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CAS Number

595-91-5

Chemical Information

Triphenylacetic acid

CAS Number	595-91-5
PubChem CID	68992
IUPAC Name	2,2,2-triphenylacetic acid
Molecular Formula	C20H16O2
Molecular Weight	288.3
XLogP	4
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	22
Formal Charge	0
Complexity	312

SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H16O2/c21-19(22)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H,21,22)

InChIKey

DCYGAPKNVCQNOE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 595-91-5

CID: 68992

Formula: C20H16O2

MW: 288.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	288.3
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	288.115029749
Monoisotopic Mass	288.115029749
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	312
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
P0320-01	Polyinosinic Acid-Polycytidylic Acid
CA2230	Cy5NS Acid
F8091-01	Folic Acid
D9980-01	Erythorbic Acid
A7240-01	Lipoic acid
N8060-01	Nicotinic Acid
F8090-01	Folic Acid
D9740-01	Dehydroacetic acid
V5470-01	Ethylenesulfonic acid
G8880-01	Salicylhydroxamic acid

Catalog	Name
AR-M03425	Triphenylacetic Acid
OR302273-01	2,2,2-Triphenylacetic acid
TRC-O845260-250MG	4,4'-((Oxybis(hexane-6,1-diyl))bis(azanediyl))bis(1-hydroxyethane-2,1-diyl))bis(2-(hydroxymethyl)phenol) Di-2,2,2-triphenylacetic Acid Salt
TRC-O338380-100MG	4,4'-((1R,1'R)-((oxybis(hexane-6,1-diyl))bis(azanediyl))bis(1-hydroxyethane-2,1-diyl))bis(2-(hydroxymethyl)phenol) di-2,2,2-triphenylacetic acid salt
OR1071368-01	Acid-apeg6-acid
MBS6083807-01	Medronic Acid (Methylenebiphosphonic Acid, Methylenediphosphonic Acid, Methanebisphosphonic Acid, Methanediphosphonic Acid, MDP)
L2500-01	Lipoic Acid (Thioctic Acid, (±) -α-Lipoic Acid)
041005	Cacodylic Acid (dimethylarsonic acid, dimethylarsinic acid)
MBS641082-01	Lipoic Acid (Thioctic Acid, Alpha Lipoic Acid)
O8099-01	Oxalacetic Acid (Oxaloacetic acid)