AG01A641

Name: methyl 3-[(4-cyanophenyl)sulfanyl]propanoate
Brand: Angene Chemical
SKU: AG01A641

1154018-52-6 | methyl 3-[(4-cyanophenyl)sulfanyl]propanoate

AG01A641

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CAS Number	1154018-52-6
Catalog Number	AG01A641
Chemical Name	methyl 3-[(4-cyanophenyl)sulfanyl]propanoate
IUPAC Name	methyl 3-(4-cyanophenyl)sulfanylpropanoate
InChI	InChI=1S/C11H11NO2S/c1-14-11(13)6-7-15-10-4-2-9(8-12)3-5-10/h2-5H,6-7H2,1H3
InChI Key	BNPGCWYQOIQGHI-UHFFFAOYSA-N
MDL Number	MFCD12563644
Molecular Formula	C11H11NO2S
Molecular Weight	221.2755
SMILES	COC(CCSC1=CC=C(C#N)C=C1)=O
Synonyms	methyl 3-[(4-cyanophenyl)sulfanyl]propanoate, 1154018-52-6, ZINC35164256, AKOS009047407, NE48744, EN300-131392,

Complexity	251
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.051g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	221.274g/mol
Monoisotopic Mass	221.051g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	75.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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