AG01E5JP

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CAS Number	86445-22-9
Catalog Number	AG01E5JP
Chemical Name	Auxinole
IUPAC Name	4-(2,4-dimethylphenyl)-2-(1H-indol-3-yl)-4-oxobutanoic acid
InChI	InChI=1S/C20H19NO3/c1-12-7-8-14(13(2)9-12)19(22)10-16(20(23)24)17-11-21-18-6-4-3-5-15(17)18/h3-9,11,16,21H,10H2,1-2H3,(H,23,24)
InChI Key	HGUYAIJBXSQXGV-UHFFFAOYSA-N
MDL Number	MFCD31657391
Molecular Formula	C20H19NO3
Molecular Weight	321.3698
SMILES	O=C(O)C(CC(C1=C(C)C=C(C)C=C1)=O)C2=CNC3=C2C=CC=C3
Synonyms	alpha-(2,4-dimethylphenylethyl-2-oxo)-IAA, alpha-(2,4-dimethylphenylethyl-2-oxo)indole-3-acetic acid, auxinole, Auxinole, 86445-22-9, HY-111444, CS-0040871,

Complexity	478
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	321.136g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	321.376g/mol
Monoisotopic Mass	321.136g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	70.2A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.6

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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