AG003RTP

57498-54-1 | Methyl 4-(4-Methylphenyl)-4-oxobutanoate

AG003RTP

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CAS Number	57498-54-1
Catalog Number	AG003RTP(AGN-PC-0JP9YQ)
Chemical Name	Methyl 4-(4-Methylphenyl)-4-oxobutanoate
IUPAC Name	methyl 4-(4-methylphenyl)-4-oxobutanoate
InChI	InChI=1S/C12H14O3/c1-9-3-5-10(6-4-9)11(13)7-8-12(14)15-2/h3-6H,7-8H2,1-2H3
InChI Key	GDNLLWLWRRVVEZ-UHFFFAOYSA-N
MDL Number	MFCD03090513
Molecular Formula	C12H14O3
Molecular Weight	206.2378
NSC Number	148957
SMILES	COC(=O)CCC(=O)C1=CC=C(C)C=C1
Synonyms	methyl 4-(4-methylphenyl)-4-oxobutanoate, 57498-54-1, NSC148957, AC1Q5DV5, AC1L692V, SCHEMBL8535748, CTK5A6970, KS-00000BDB, methyl 4-oxo-4-p-tolylbutanoate, DTXSID40302131, GDNLLWLWRRVVEZ-UHFFFAOYSA-N, ZINC390415, methyl 4-oxo-4-(p-tolyl)butanoate, 7397AH, KM0114, MFCD03090513, AKOS005265155, AN-9312, NSC-148957, TRA0072389, 4-Oxo-4-p-tolylbutyric acid methyl ester, AS-31705, CJ-03452, Methyl4-(4-Methylphenyl)-4-oxobutanoate, SC-27566, SY004010, 3-(4-methylbenzoyl)propionic methyl ester, DB-072319, TC-287765, FT-0712858, ST50452561, MFCD03090513 (97+%), C12H14O3, AR-1J5260, CID288215, 5796-93-0,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.094g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	206.241g/mol
Monoisotopic Mass	206.094g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number