AG00DF8H

Name: Vanillylmandelic Acid Ethyl Ester
Brand: Angene Chemical
SKU: AG00DF8H

52058-11-4 | Vanillylmandelic Acid Ethyl Ester

AG00DF8H

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CAS Number	52058-11-4
Catalog Number	AG00DF8H(AGN-PC-0SBYWF)
Chemical Name	Vanillylmandelic Acid Ethyl Ester
IUPAC Name	ethyl 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate
InChI	InChI=1S/C11H14O5/c1-3-16-11(14)10(13)7-4-5-8(12)9(6-7)15-2/h4-6,10,12-13H,3H2,1-2H3
InChI Key	JANQOURSKMXOPR-UHFFFAOYSA-N
MDL Number	MFCD01412202
Molecular Formula	C11H14O5
Molecular Weight	226.2259
SMILES	CCOC(=O)C(O)c1ccc(O)c(OC)c1
Synonyms	Vanillylmandelic Acid Ethyl Ester, 52058-11-4, CHEMBL3746207, DTXSID90858557, ethyl 4-hydroxy-3-methoxymandelate, FT-0675780, 4-Hydroxy-3-methoxy-mandelic Acid Ethyl Ester, Ethyl hydroxy(4-hydroxy-3-methoxyphenyl)acetate, ethyl 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate, \|A,4-Dihydroxy-3-methoxy-benzeneacetic Acid Ethyl Ester,

Complexity	230
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	226.084g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	226.228g/mol
Monoisotopic Mass	226.084g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	76A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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