AG006Z2C

Name: 3-(4-methylphenyl)prop-2-ynoic acid
Brand: Angene Chemical
SKU: AG006Z2C

2227-58-9 | 3-(4-methylphenyl)prop-2-ynoic acid

AG006Z2C

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CAS Number	2227-58-9
Catalog Number	AG006Z2C(AGN-PC-0JNVFP)
Chemical Name	3-(4-methylphenyl)prop-2-ynoic acid
IUPAC Name	3-(4-methylphenyl)prop-2-ynoic acid
InChI	InChI=1S/C10H8O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-5H,1H3,(H,11,12)
InChI Key	DVXIRBTZXZKOPP-UHFFFAOYSA-N
MDL Number	MFCD11934439
Molecular Formula	C10H8O2
Molecular Weight	160.1693
NSC Number	89331
SMILES	Cc1ccc(cc1)C#CC(=O)O
Synonyms	3-(4-methylphenyl)prop-2-ynoic acid, 2227-58-9, p-Tolyl-propynoic acid, NSC89331, 3-(p-tolyl)propiolic acid, AC1Q5BQ7, 3-(p-Tolyl)-propiolic acid, 4-Methylbenzenepropiolic acid, SCHEMBL670335, CTK1A7413, KS-00001KLF, DTXSID00293410, 3-(4-methylphenyl)propynoic acid, DVXIRBTZXZKOPP-UHFFFAOYSA-N, AC1L6127, ZINC1574950, MFCD11934439, NSC-89331, AKOS012949870, CS-W018356, AR-1E7096, CID259404, 25384-36-5,

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.052g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	160.172g/mol
Monoisotopic Mass	160.052g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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