AG003PU8

Name: DL-Mandelic Acid Isoamyl Ester
Brand: Angene Chemical
SKU: AG003PU8

5421-04-5 | DL-Mandelic Acid Isoamyl Ester

AG003PU8

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CAS Number	5421-04-5
Catalog Number	AG003PU8(AGN-PC-0SGR68)
Chemical Name	DL-Mandelic Acid Isoamyl Ester
EC Number	226-535-1
IUPAC Name	3-methylbutyl 2-hydroxy-2-phenylacetate
InChI	InChI=1S/C13H18O3/c1-10(2)8-9-16-13(15)12(14)11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3
InChI Key	KQQXUARABJGCMS-UHFFFAOYSA-N
MDL Number	MFCD00021858
Molecular Formula	C13H18O3
Molecular Weight	222.2802
NSC Number	6631
SMILES	OC(C1=CC=CC=C1)C(OCCC(C)C)=O
Synonyms	Isoamyl mandelate, Spasmostenyl, Atractyl, Mandaverm, Vermiparin, Spasmol, 5421-04-5, Mandelic acid isoamyl ester, Mandelic acid, isopentyl ester, DL-Mandelic acid isoamyl ester, 3-methylbutyl 2-hydroxy-2-phenylacetate, Isopentyl phenylglycolate, EINECS 226-535-1, Isopentyl 2-hydroxy-2-phenylacetate, alpha-Hydroxy-3-methylbutyl benzeneacetate, Benzeneacetic acid, alpha-hydroxy-3-methylbutyl ester, Benzeneacetic acid, .alpha.-hydroxy-, 3-methylbutyl ester, Isoamyl DL-Mandelate, Isopentyl DL-mandelate, (RS)-Isopentylmandelat, AC1Q1PG5, Isopentyl alcohol, mandelate, OiIi>>u DL-+/-aIOEao yen, AC1L3U80, SCHEMBL11109779, DL-Mandelic Acid Isopentyl Ester, NSC6631, KQQXUARABJGCMS-UHFFFAOYSA-N, Isopentyl hydroxy(phenyl)acetate #, NSC-6631, MFCD00021858, AKOS024319068, MCULE-5353679947, Benzeneacetic acid, 4-methylbutyl ester, LS-28838, M0716, alpha-Hydroxy-alpha-phenylacetic acid isopentyl ester, I14-106271, 95360-05-7, 4'-Methoxybutyranilide, UNII-MCC49E3509, MCC49E3509, CID95396,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.126g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	222.284g/mol
Monoisotopic Mass	222.126g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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