AG00941Y

Name: 5-(3,5-Dimethylphenyl)nicotinic acid
Brand: Angene Chemical
SKU: AG00941Y

1048486-24-3 | 5-(3,5-Dimethylphenyl)nicotinic acid

AG00941Y

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CAS Number	1048486-24-3
Catalog Number	AG00941Y(AGN-PC-07XW8Q)
Chemical Name	5-(3,5-Dimethylphenyl)nicotinic acid
IUPAC Name	5-(3,5-dimethylphenyl)pyridine-3-carboxylic acid
InChI	InChI=1S/C14H13NO2/c1-9-3-10(2)5-11(4-9)12-6-13(14(16)17)8-15-7-12/h3-8H,1-2H3,(H,16,17)
InChI Key	YLLORROYVZRDMN-UHFFFAOYSA-N
MDL Number	MFCD16200850
Molecular Formula	C14H13NO2
Molecular Weight	227.2585
SMILES	Cc1cc(C)cc(c1)c1cncc(c1)C(=O)O
Synonyms	5-(3,5-DIMETHYLPHENYL)NICOTINIC ACID, 1048486-24-3, ACMC-2098dh, CTK8A9089, DTXSID90675463, ANW-15123, MFCD16200850, ZINC36348773, AKOS005978978, AJ-92630, AX8230392, BC4304389, TC-103868, ST24023727, Z6763, B-6330, 5-(3,5-dimethylphenyl)pyridine-3-carboxylic acid, C14H13NO2, 5-(3,5-Dimethylphenyl)nicotinicacid,

Complexity	269
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.095g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	227.263g/mol
Monoisotopic Mass	227.095g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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