AG01AA4Z

Name: 3-(2,4-Di-tert-butylphenoxy)propanenitrile
Brand: Angene Chemical
SKU: AG01AA4Z

1041594-75-5 | 3-(2,4-Di-tert-butylphenoxy)propanenitrile

AG01AA4Z

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CAS Number	1041594-75-5
Catalog Number	AG01AA4Z
Chemical Name	3-(2,4-Di-tert-butylphenoxy)propanenitrile
IUPAC Name	3-(2,4-ditert-butylphenoxy)propanenitrile
InChI	InChI=1S/C17H25NO/c1-16(2,3)13-8-9-15(19-11-7-10-18)14(12-13)17(4,5)6/h8-9,12H,7,11H2,1-6H3
InChI Key	REHMHKBXKSFACE-UHFFFAOYSA-N
MDL Number	MFCD12737040
Molecular Formula	C17H25NO
Molecular Weight	259.3865
SMILES	CC(C1=CC(C(C)(C)C)=C(OCCC#N)C=C1)(C)C
Synonyms	3-(2,4-di-tert-butylphenoxy)propanenitrile, 1041594-75-5, EN300-67082, AC1Q1LUH, SCHEMBL8875797, ZINC21009734, AKOS009170704, MCULE-6347596040, NE19078, Z1259340997,

Complexity	325
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	259.194g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	259.393g/mol
Monoisotopic Mass	259.194g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.9

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