AG002ACP

20577-61-1 | Pentanoic acid, 2,4-dioxo-, methyl ester

AG002ACP

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CAS Number	20577-61-1
Catalog Number	AG002ACP(AGN-PC-0JLXJ6)
Chemical Name	Pentanoic acid, 2,4-dioxo-, methyl ester
EC Number	243-891-3
IUPAC Name	methyl 2,4-dioxopentanoate
InChI	InChI=1S/C6H8O4/c1-4(7)3-5(8)6(9)10-2/h3H2,1-2H3
InChI Key	OMHOEQINEXASKE-UHFFFAOYSA-N
MDL Number	MFCD00043638
Molecular Formula	C6H8O4
Molecular Weight	144.1253
SMILES	O=C(CC(C)=O)C(OC)=O
Synonyms	Methyl 2,4-dioxopentanoate, Methyl acetopyruvate, 20577-61-1, Pentanoic acid, 2,4-dioxo-, methyl ester, methyl acetylpyruvate, OMHOEQINEXASKE-UHFFFAOYSA-N, MFCD00043638, Methyl acetopyruvate, 97%, EINECS 243-891-3, AC1L3G2O, AC1Q41NB, Acetopyruvic acid methyl ester, SCHEMBL351192, Methyl 2,4-dioxopentanoate #, 2,4-Dioxopentanoic acid methyl, CTK8B4153, DTXSID50174583, RD-04, BCP21705, ZINC3882590, 0551AB, ANW-44105, BBL027990, SBB004133, STK397839, AKOS000305800, 2,4-Dioxo-pentanoic acid methyl ester, FR-1171, MCULE-8074026108, VZ32694, AJ-46688, SC-50826, SY078759, ST2419478, TR-009615, BB 0218002, FT-0082428, FT-0628696, ST50649021, EN300-21748, MFCD00043638 (97%), K-5986, J-013434, J-521893, I14-15680, F0001-0730, C6H8O4, C6-H8-O4, CID88600,

Complexity	171
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	144.042g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	144.126g/mol
Monoisotopic Mass	144.042g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	60.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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