AG00DL4M

444807-47-0 | Methyl 2-(4-cyanophenyl)-2-methylpropanoate

AG00DL4M

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CAS Number	444807-47-0
Catalog Number	AG00DL4M(AGN-PC-0RSXR4)
Chemical Name	Methyl 2-(4-cyanophenyl)-2-methylpropanoate
IUPAC Name	methyl 2-(4-cyanophenyl)-2-methylpropanoate
InChI	InChI=1S/C12H13NO2/c1-12(2,11(14)15-3)10-6-4-9(8-13)5-7-10/h4-7H,1-3H3
InChI Key	FFCALCDCZITJBM-UHFFFAOYSA-N
MDL Number	MFCD23097041
Molecular Formula	C12H13NO2
Molecular Weight	203.2371
SMILES	CC(C)(C1=CC=C(C#N)C=C1)C(OC)=O
Synonyms	methyl 2-(4-cyanophenyl)-2-methylpropanoate, 444807-47-0, 2-(4-cyano-phenyl)-2-methylpropionic acid methyl ester, SCHEMBL5355618, MFCD23097041, ZINC98178809, DS-9091, AK148934, AJ-139915, 99-87-6,

Complexity	279
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	203.095g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	203.241g/mol
Monoisotopic Mass	203.095g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	50.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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