AG00GZNH

Name: 3-Phenylethynyl-benzoic acid
Brand: Angene Chemical
SKU: AG00GZNH

93866-50-3 | 3-Phenylethynyl-benzoic acid

AG00GZNH

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COA

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CAS Number	93866-50-3
Catalog Number	AG00GZNH(AGN-PC-0JPH4U)
Chemical Name	3-Phenylethynyl-benzoic acid
IUPAC Name	3-(2-phenylethynyl)benzoic acid
InChI	InChI=1S/C15H10O2/c16-15(17)14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-8,11H,(H,16,17)
InChI Key	YVBDUPNCTBINKB-UHFFFAOYSA-N
MDL Number	MFCD06740205
Molecular Formula	C15H10O2
Molecular Weight	222.2387
NSC Number	171754
SMILES	O=C(O)C1=CC=CC(C#CC2=CC=CC=C2)=C1
Synonyms	3-(Phenylethynyl)Benzoic Acid, 3-Phenylethynyl-benzoic acid, 93866-50-3, 3-(2-phenylethynyl)benzoic acid, CHEMBL1834963, NSC171754, AC1L6UDX, SCHEMBL1927619, CTK7I8597, DTXSID70305832, YVBDUPNCTBINKB-UHFFFAOYSA-N, ZINC1692877, BDBM50355012, MFCD06740205, AKOS004116391, NSC-171754, AS-38230, F2167-5392, CID299283,

Complexity	327
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.068g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	222.243g/mol
Monoisotopic Mass	222.068g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited