AG000V2G

13089-11-7 | Propanoic acid, 3,3,3-trifluoro-2-oxo-, methyl ester

AG000V2G

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CAS Number	13089-11-7
Catalog Number	AG000V2G(AGN-PC-0KK6TJ)
Chemical Name	Propanoic acid, 3,3,3-trifluoro-2-oxo-, methyl ester
IUPAC Name	methyl 3,3,3-trifluoro-2-oxopropanoate
InChI	InChI=1S/C4H3F3O3/c1-10-3(9)2(8)4(5,6)7/h1H3
InChI Key	XGLLQDIWQRQROJ-UHFFFAOYSA-N
MDL Number	MFCD00114936
Molecular Formula	C4H3F3O3
Molecular Weight	156.0600
SMILES	COC(=O)C(=O)C(F)(F)F
Synonyms	Methyl Trifluoropyruvate, 13089-11-7, methyl 3,3,3-trifluoro-2-oxopropanoate, Methyl 3,3,3-trifluoropyruvate, methyltrifluoropyruvate, Trifluoropyruvic Acid Methyl Ester, MFCD00114936, Propanoic acid, 3,3,3-trifluoro-2-oxo-, methyl ester, Methyl 3,3,3-trifluoropyruvate, 97%, METHYL 2-OXO-3,3,3-TRIFLUOROPROPANOATE, PubChem2012, ACMC-1BP0J, AC1MC29E, AC1Q41MF, SCHEMBL486217, methyl-3,3,3-trifluoropyruvate, CTK0I2192, DTXSID30370581, XGLLQDIWQRQROJ-UHFFFAOYSA-N, KS-00000GN8, ZINC2577560, 5613AA, ANW-19239, FD2023, SBB087105, AKOS005063372, AN-1062, CS-W002382, EF10066, LS41074, RP21989, RTR-004222, TRA0069922, Methyl 2-oxo-3,3,3-trifluoropropionate, AJ-42663, AK-57488, AS-48914, CJ-10128, methyl 3,3,3-trifluoro-2-oxo-propanoate, SC-48459, AB0058065, DB-001402, TR-004222, FT-0613981, ST24030985, EN300-42930, K-4070, 3,3,3-TRIFLUOROPYRUVIC ACID METHYL ESTER, 3,3,3-trifluoro-2-oxo-propionic acid methyl ester, 3S100604, 3S210855, I14-7914, J-005895, J-522701, Methyl trifluoropyruvate 1kg, C4H3F3O3, ACN-S002441, ZINC02577560, CID2734931, T1785, Methyl 3,3,3-trifluoropyruvate, 97% - 5G 5g,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	156.003g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	156.06g/mol
Monoisotopic Mass	156.003g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H225
Packing Group	Ⅲ
Precautionary statements	P210
UN Code	UN 1993

Certificate of Analysis

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