AG00293X

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CAS Number	20374-48-5
Catalog Number	AG00293X(AGN-PC-0WASOP)
Chemical Name	2-Cyano-3-(p-tolyl)acrylic acid
IUPAC Name	(E)-2-cyano-3-(4-methylphenyl)prop-2-enoic acid
InChI	InChI=1S/C11H9NO2/c1-8-2-4-9(5-3-8)6-10(7-12)11(13)14/h2-6H,1H3,(H,13,14)/b10-6+
InChI Key	VSMAAVBAABUVMQ-UXBLZVDNSA-N
MDL Number	MFCD01313927
Molecular Formula	C11H9NO2
Molecular Weight	187.1947
NSC Number	230320
SMILES	O=C(O)/C(C#N)=C/C1=CC=C(C)C=C1
Synonyms	20374-48-5, 2-Cyano-3-(4-methylphenyl)acrylic acid, (2E)-2-cyano-3-(4-methylphenyl)prop-2-enoic acid, 2-cyano-3-(p-methylphenyl)propenoic acid, 80540-68-7, J-501853, (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate, NSC230320, AC1LTEZM, (E)-2-cyano-3-(4-methylphenyl)prop-2-enoic acid, cyanomethylphenylacrylicacid, CHEMBL77278, BDBM4346, DTXSID00364396, 4-Methyl-alpha-cyanocinnamic acid, ZINC163685, ZX-AT009712, (E)-2-cyano-3-p-tolylacrylic acid, 6886AD, MFCD01313927, SBB090564, AKOS000263247, NSC-230320, OR14204, RP11112, (E)-2-cyano-3-(p-tolyl)acrylic acid, ACM20374485, AJ-16061, benzylidenemalononitrile (BMN) deriv. 30, SC-58164, 2Y-0954, 2-cyano-3-(4-methylphenyl)acrylic acid, AldrichCPR, 2-Cyano-3-(p-tolyl)acrylic acid, C11H9NO2, 2-CYANO-3- ACRYLICACID, CID1558661,

Complexity	290
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	187.063g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	187.198g/mol
Monoisotopic Mass	187.063g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	61.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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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