AG003RLA

38923-57-8 | METHYL 2,2-DIMETHYL-3-OXOBUTANOATE

AG003RLA

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CAS Number	38923-57-8
Catalog Number	AG003RLA(AGN-PC-0JM27I)
Chemical Name	METHYL 2,2-DIMETHYL-3-OXOBUTANOATE
EC Number	254-189-1
IUPAC Name	methyl 2,2-dimethyl-3-oxobutanoate
InChI	InChI=1S/C7H12O3/c1-5(8)7(2,3)6(9)10-4/h1-4H3
InChI Key	LVSDLZIEHYYLTC-UHFFFAOYSA-N
MDL Number	MFCD00026232
Molecular Formula	C7H12O3
Molecular Weight	144.1684
NSC Number	93904
SMILES	CC(C(C)(C)C(OC)=O)=O
Synonyms	38923-57-8, Methyl 2,2-dimethylacetoacetate, Methyl 2,2-dimethyl-3-oxobutanoate, METHYL2,2-DIMETHYLACETOACETATE, Butanoic acid, 2,2-dimethyl-3-oxo-, methyl ester, 2,2-Dimethylacetoacetic acid methyl ester, Methyl 2,2-dimethyl acetoacetate, LVSDLZIEHYYLTC-UHFFFAOYSA-N, MFCD00026232, 2,2-dimethyl-3-oxo-butyric acid methyl ester, 2,2-Dimethyl-3-oxobutyric acid, methyl ester, Methyl 2,2-Dimethyl-3-Oxobutyrate, EINECS 254-189-1, PubChem23356, ACMC-20akj7, AC1L3XIO, AC1Q5C0G, SCHEMBL1022153, CTK4I0694, DTXSID40192211, CS-M0049, KS-00000BJ2, NSC93904, ZINC1609563, methyl 2,2dimethyl-3-oxo-butanoate, AB1519, NSC-93904, methyl 2,2-dimethyl-3-oxo-butanoate, AKOS015902536, MCULE-4521147482, Methyl 2,2-dimethyl-3-oxobutanoate #, RL03480, TRA0011879, AJ-28203, AK-61369, BP-11323, CJ-05761, DS-14763, SC-49082, SY012342, AB0048733, DB-069741, TC-166282, TX-013425, FT-0609267, Z3692, 2,2-dimethyl-3-oxobutanoic acid methyl ester, methyl 2,2-dimethyl-3-oxidanylidene-butanoate, MFCD00026232 (95%), Acetoacetic acid, 2,2-dimethyl-, methyl ester, K-8445, Butanoic acid,2,2-dimethyl-3-oxo-,methyl ester, A824332, J-521884, I14-20190, Z2044949182, C7H12O3, CID96925, AR-1J4471, C7-H12-O3, 40805-93-4,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	144.079g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	144.17g/mol
Monoisotopic Mass	144.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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