2-Hydroxy-5- (phenylethynyl) benzoic acid

CAT: 0127-OR7432-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-OR7432-01Size:50 mg

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CAS Number

32192-74-8

Synonyms

5- (Phenylethynyl) salicylic acid, 2-Carboxy-4- (phenylethynyl) phenol

MDL Number

MFCD04039086

Purity

=95%

Smiles

OC(=O)c1cc(ccc1O)C#Cc2ccccc2

Chemical Information

2-Hydroxy-5-(phenylethynyl)benzoic acid

CAS Number	32192-74-8
PubChem CID	4344716
IUPAC Name	2-hydroxy-5-(2-phenylethynyl)benzoic acid
Molecular Formula	C15H10O3
Molecular Weight	238.24
XLogP	4.4
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	18
Formal Charge	0
Complexity	356

SMILES

C1=CC=C(C=C1)C#CC2=CC(=C(C=C2)O)C(=O)O

InChI

InChI=1S/C15H10O3/c16-14-9-8-12(10-13(14)15(17)18)7-6-11-4-2-1-3-5-11/h1-5,8-10,16H,(H,17,18)

InChIKey

KMDHRTJLNUICNY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 32192-74-8

CID: 4344716

Formula: C15H10O3

MW: 238.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	238.24
XLogP3	4.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	238.062994177
Monoisotopic Mass	238.062994177
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	356
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
OR49037-01	4- (2-Phenylethynyl) benzoic acid
OR1064828-01	3- (Phenylethynyl) benzoic acid
OR1025370-01	2-Hydroxy-5- (Phenyldiazenyl) Benzoic Acid
OR92990-01	2-hydroxy-5- (hydroxymethyl) benzoic acid
PC5255-01	2-Hydroxy-5- (trifluoromethoxy) benzoic acid
PC1022055-01	5-Hydroxy-2- (trifluoromethoxy) benzoic acid
PC5736-01	2-Hydroxy-5- (trifluoromethyl) benzoic acid
PC56143	2-Hydroxy-5- (pentafluorothio) benzoic acid
OR470319	5-Hydroxy-2- (methylsulfonamido) benzoic acid
OR1006614-01	2-Hydroxy-5- (methoxycarbonyl) benzoic acid

Catalog	Name
sc-356472	2-Hydroxy-5- (phenylethynyl) benzoic acid
TRC-H950540-25MG	2-Hydroxy-5-(phenylethynyl)benzoic Acid (90%)
429703-01	4- (Phenylethynyl) benzoic Acid
sc-266832	3-Phenylethynyl-benzoic acid
418269	2-Hydroxy-5- (methylthio) -benzoic Acid
sc-350765	5-Benzylsulfamoyl-2-hydroxy-benzoic acid
sc-321784	2-Hydroxy-5-thioureido-benzoic acid
TZB37331-01	5-Hydroxy-2- (trifluoromethyl) benzoic acid
sc-336733	5- (Dihydroxyacetyl) -2-hydroxy-benzoic acid
418272-01	2-Hydroxy-5- (trifluoromethyl) benzoic acid