AG00838R

Name: Isopropyl 3-cyanobenzoate
Brand: Angene Chemical
SKU: AG00838R

110893-37-3 | Isopropyl 3-cyanobenzoate

AG00838R

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CAS Number	110893-37-3
Catalog Number	AG00838R(AGN-PC-03OCCW)
Chemical Name	Isopropyl 3-cyanobenzoate
IUPAC Name	propan-2-yl 3-cyanobenzoate
InChI	InChI=1S/C11H11NO2/c1-8(2)14-11(13)10-5-3-4-9(6-10)7-12/h3-6,8H,1-2H3
InChI Key	YMOAZNBHBMMUSB-UHFFFAOYSA-N
MDL Number	MFCD19981536
Molecular Formula	C11H11NO2
Molecular Weight	189.2105
SMILES	N#Cc1cccc(c1)C(=O)OC(C)C
Synonyms	Isopropyl 3-cyanobenzoate, 110893-37-3, propan-2-yl 3-cyanobenzoate, Benzoic acid, 3-cyano-, 1-methylethyl ester, YMOAZNBHBMMUSB-UHFFFAOYSA-N, ACMC-20997n, SCHEMBL5785215, CTK0G1993, DTXSID00625030, 2005AA, ANW-16209, MFCD19981536, ZINC70286886, AKOS008949356, CJ-21385, AJ-117341, TC-104954, B-6440, I01-11261, Isopropyl3-cyanobenzoate, C11H11NO2,

Complexity	251
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.079g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	189.214g/mol
Monoisotopic Mass	189.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	50.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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