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2-Hydroxy-5-(phenylethynyl)benzoic Acid (90%)

CAT: 0572-TRC-H950540-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H950540-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
32192-74-8
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
OC(=O)c1cc(ccc1O)C#Cc2ccccc2
Molecular Formula
C15H10O3
Molecular Weight
238.23
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-Hydroxy-5-(phenylethynyl)benzoic acid
CAS Number32192-74-8
PubChem CID4344716
IUPAC Name2-hydroxy-5-(2-phenylethynyl)benzoic acid
Molecular FormulaC15H10O3
Molecular Weight238.24
XLogP4.4
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity356
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
2D structure of 2-Hydroxy-5-(phenylethynyl)benzoic acid
CAS: 32192-74-8
CID: 4344716
Formula: C15H10O3
MW: 238.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight238.24
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass238.062994177
Monoisotopic Mass238.062994177
Topological Polar Surface Area57.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity356
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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