AG008XBP

1037130-77-0 | METHYL 4-(4-METHYLPHENYL)-2,4-DIOXOBUTANOATE

AG008XBP

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CAS Number	1037130-77-0
Catalog Number	AG008XBP(AGN-PC-0WD08D)
Chemical Name	METHYL 4-(4-METHYLPHENYL)-2,4-DIOXOBUTANOATE
IUPAC Name	methyl 4-(2-methylphenyl)-2,4-dioxobutanoate
InChI	InChI=1S/C12H12O4/c1-8-5-3-4-6-9(8)10(13)7-11(14)12(15)16-2/h3-6H,7H2,1-2H3
InChI Key	FLJGCEWUYSDKHA-UHFFFAOYSA-N
MDL Number	MFCD11188866
Molecular Formula	C12H12O4
Molecular Weight	220.2213
SMILES	O=C(OC)C(CC(C1=CC=CC=C1C)=O)=O
Synonyms	1037130-77-0, Methyl 2,4-dioxo-4-(o-tolyl)butanoate, methyl 4-(2-methylphenyl)-2,4-dioxobutanoate, AC1Q41ML, CTK6I6951, DTXSID20655430, MFCD11188866, AKOS009264695, ZINC100086750, MCULE-8570821476, NE23425, AK136172, DB-059037, FT-0759433, EN300-56144, Z1250208657, methyl 4-(4-methylphenyl)-2,4-dioxobutanoate,

Complexity	295
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.074g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	220.224g/mol
Monoisotopic Mass	220.074g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	60.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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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