AG004HL2

Name: 1,2-Benzenedicarboxylic acid, 4-ethynyl-
Brand: Angene Chemical
SKU: AG004HL2

87639-56-3 | 1,2-Benzenedicarboxylic acid, 4-ethynyl-

AG004HL2

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CAS Number	87639-56-3
Catalog Number	AG004HL2(AGN-PC-00LEM8)
Chemical Name	1,2-Benzenedicarboxylic acid, 4-ethynyl-
IUPAC Name	4-ethynylphthalic acid
InChI	InChI=1S/C10H6O4/c1-2-6-3-4-7(9(11)12)8(5-6)10(13)14/h1,3-5H,(H,11,12)(H,13,14)
InChI Key	GWDWBZQHNHBODA-UHFFFAOYSA-N
MDL Number	MFCD14635839
Molecular Formula	C10H6O4
Molecular Weight	190.1522
SMILES	OC(=O)C1=CC=C(C=C1C(O)=O)C#C
Synonyms	4-Ethynylbenzene-1,2-dioic acid, 87639-56-3, 4-ethynylphthalic acid, 1,2-Benzenedicarboxylic acid, 4-ethynyl-, 4-ethynyl phthalic acid, SCHEMBL541999, CTK3C2800, DTXSID40526592, GWDWBZQHNHBODA-UHFFFAOYSA-N, MFCD14635839, ZINC39419323, 4-Ethynylbenzene-1,2-dicarboxylic acid, AS-44960,

Complexity	299
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.027g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	190.154g/mol
Monoisotopic Mass	190.027g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

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