AG007D90

Name: TUG-424
Brand: Angene Chemical
SKU: AG007D90

1082058-99-8 | TUG-424

AG007D90

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CAS Number	1082058-99-8
Catalog Number	AG007D90(AGN-PC-04ZO32)
Chemical Name	TUG-424
IUPAC Name	3-[4-[2-(2-methylphenyl)ethynyl]phenyl]propanoic acid
InChI	InChI=1S/C18H16O2/c1-14-4-2-3-5-17(14)12-10-15-6-8-16(9-7-15)11-13-18(19)20/h2-9H,11,13H2,1H3,(H,19,20)
InChI Key	FODHWOBAQBTTFS-UHFFFAOYSA-N
MDL Number	MFCD12912449
Molecular Formula	C18H16O2
Molecular Weight	264.3184
SMILES	C1(=C(C=CC=C1)C#CC1=CC=C(C=C1)CCC(=O)O)C
Synonyms	3-(4-(o-tolylethynyl)phenyl)propanoic acid, TUG-424, TUG424, TUG-424, 1082058-99-8, 3-(4-(o-Tolylethynyl)phenyl)propanoic acid, TUG424, TUG 424, CHEMBL449588, 4-[2-(2-methylphenyl)ethynyl]-benzenepropanoicacid, 3-[4-[(2-Methylphenyl)ethynyl]phenyl]propanoic acid, 3-{4-[(2-Methylphenyl)ethynyl]phenyl}propanoic acid, GTPL3952, SCHEMBL1551461, CTK8F0773, DTXSID00648885, HMS3648E08, BDBM50275597, ZINC40845846, AKOS024457804, 4-(2-Toluylethynyl)Dihydrocinnamic Acid, NCGC00344089-02, RT-017608, TUG-424, >=98% (HPLC), B7499, SR-01000946356, J-002071, SR-01000946356-1, 4-[2-(2-methylphenyl)ethynyl]-benzenepropanoic acid, 3-{4-[2-(2-methylphenyl)ethynyl]phenyl}propanoic acid, D01CCG,

Complexity	379
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	264.115g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	264.324g/mol
Monoisotopic Mass	264.115g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

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