AG00BYRV

41892-81-3 | ETHYL 2-ACETYL-4-OXOPENTANOATE

AG00BYRV

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CAS Number	41892-81-3
Catalog Number	AG00BYRV(AGN-PC-0KP0OW)
Chemical Name	ETHYL 2-ACETYL-4-OXOPENTANOATE
EC Number	255-582-0
IUPAC Name	ethyl 2-acetyl-4-oxopentanoate
InChI	InChI=1S/C9H14O4/c1-4-13-9(12)8(7(3)11)5-6(2)10/h8H,4-5H2,1-3H3
InChI Key	WANUOLLLVOSMFL-UHFFFAOYSA-N
MDL Number	MFCD00204229
Molecular Formula	C9H14O4
Molecular Weight	186.2051
SMILES	CC(CC(C(C)=O)C(OCC)=O)=O
Synonyms	Ethyl 2-acetyl-4-oxopentanoate, 41892-81-3, ethyl 2-acetyl-4-oxo-pentanoate, Ethyl 2-acetyl-4-oxovalerate, EINECS 255-582-0, AC1MJ3CY, 3-carbethoxy-2,5-hexanedione, SCHEMBL5001158, CTK4I5406, WANUOLLLVOSMFL-UHFFFAOYSA-N, Ethyl 2,5-dioxohexane-3-carboxylate, MFCD00204229, SBB017380, AKOS000369932, AKOS022183537, MCULE-6115337677, 2-Acetyl-4-oxovaleric acid ethyl ester, SC-47540, ST078355, 2-acetyl-4-oxo-pentanoic acid ethyl ester, DB-007470, TC-030409, FT-0600255, Pentanoic acid,2-acetyl-4-oxo-, ethyl ester, K-8765, Z1551469230, C9-H14-O4, ZINC02557591, CID3084847, Pentanoic acid, 2-acetyl-4-oxo-, ethyl ester,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.089g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	186.207g/mol
Monoisotopic Mass	186.089g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	60.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0

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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