AG003RTW

69316-08-1 | Methyl 4-(cyanoacetyl)benzoate

AG003RTW

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CAS Number	69316-08-1
Catalog Number	AG003RTW(AGN-PC-0JVO6G)
Chemical Name	Methyl 4-(cyanoacetyl)benzoate
IUPAC Name	methyl 4-(2-cyanoacetyl)benzoate
InChI	InChI=1S/C11H9NO3/c1-15-11(14)9-4-2-8(3-5-9)10(13)6-7-12/h2-5H,6H2,1H3
InChI Key	CTZGTFNYYYZXTE-UHFFFAOYSA-N
MDL Number	MFCD00015378
Molecular Formula	C11H9NO3
Molecular Weight	203.1941
SMILES	O=C(OC)C1=CC=C(C(CC#N)=O)C=C1
Synonyms	Methyl 4-(cyanoacetyl)benzoate, 69316-08-1, methyl 4-(2-cyanoacetyl)benzoate, methyl4-(cyanoacetyl)benzoate, CTZGTFNYYYZXTE-UHFFFAOYSA-N, AK-51300, AC1LEH6C, AC1Q5Z6T, methyl 4-cyanoacetylbenzoate, ACMC-1B9I1, Methyl 4-cyanoacettylbenzoate, SCHEMBL753410, methyl-4-(cyanoacetyl)benzoate, CTK2F7994, KS-00000GLD, DTXSID00352910, ZINC155085, AC1Q4364, methyl 4-(2-cyanoethanoyl)benzoate, 0688AC, AM1145, ANW-61250, MFCD00015378, SBB064541, AKOS015890036, Methyl 4-(cyanoacetyl)benzoate, 98%, CS-W008257, MCULE-7649742381, METHYL-p-(CYANO-ACETYL)BENZOATE, TRA-0184289, 4-(Cyanoacetyl)benzoic acid methyl ester, AJ-13420, BP-12960, OR322117, SC-24282, ZB005934, 4-(2-Cyanoacetyl)benzoic acid methyl ester, AX8138809, DB-030210, TL8004846, TX-017733, 4CH-021545, FT-0628582, Methyl 4- pound cyanoacetyl pound(c)benzoate, ST24047878, ST50307049, 4-(2-cyano-acetyl)-benzoic acid methyl ester, 4-(2-cyano-1-oxoethyl)benzoic acid methyl ester, Benzoic acid, 4-(2-cyanoacetyl)-, methyl ester, A836427, C-52565, I01-5087, C11H9NO3, AR-1J5280, CID736021, ZINC00155085, ACN-036552, 6947-57-5,

Complexity	294
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	203.058g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	203.197g/mol
Monoisotopic Mass	203.058g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	67.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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