AG0034WS

4949-44-4 | Ethyl Propionylacetate

AG0034WS

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CAS Number	4949-44-4
Catalog Number	AG0034WS(AGN-PC-0JLRIF)
Chemical Name	Ethyl Propionylacetate
EC Number	225-593-5
IUPAC Name	ethyl 3-oxopentanoate
InChI	InChI=1S/C7H12O3/c1-3-6(8)5-7(9)10-4-2/h3-5H2,1-2H3
InChI Key	UDRCONFHWYGWFI-UHFFFAOYSA-N
MDL Number	MFCD00009317
Molecular Formula	C7H12O3
Molecular Weight	144.1684
SMILES	O=C(OCC)CC(=O)CC
Synonyms	Ethyl propionylacetate, Ethyl 3-oxopentanoate, 4949-44-4, Ethyl 3-oxovalerate, Ethyl 3-oxo-n-valerate, Pentanoic acid, 3-oxo-, ethyl ester, 3-Oxopentanoic acid ethyl ester, 3-oxo-pentanoic acid ethyl ester, UDRCONFHWYGWFI-UHFFFAOYSA-N, MFCD00009317, Ethyl Propanoylacetate, Ethyl 3-Ketopentanoate, Ethyl propionylacetate, 98+%, 3-Oxovaleric Acid Ethyl Ester, Propionylacetic Acid Ethyl Ester, EINECS 225-593-5, ethyl-3-oxopentanoate, ethyl 3-oxo-pentanoate, AI3-30964, AC1L2VPD, AC1Q2ROR, Ethyl 3-oxopentanoate #, ACMC-1AKF1, Ethyl propionylacetate, 97%, Ethyl-gamma-methylacetoacetate, KSC492M9F, SCHEMBL181997, AMOT0323, 3-Ketovaleric Acid Ethyl Ester, CTK3J2692, KS-00000BHV, UDRCONFHWYGWFI-UHFFFAOYSA-, DTXSID20197800, EBD9059, NSC7251, 3-keto-n-valeric acid ethyl ester, NSC-7251, NSC78662, ZINC4261948, ANW-30780, BBL100735, NSC-78662, STL554529, AKOS005255091, CS-W019881, DS-1602, RTR-017807, TRA0008998, alpha-methylacetylacetic acid ethyl ester, AJ-49816, AK-49828, BC222577, BR-49828, CJ-11728, EN003045, SC-20988, SY008856, AB0031389, AB1007119, TR-017807, FT-0615940, K0031, ST24030576, X4472, MFCD00009317 (97%), Ethyl 3-oxovalerate, purum, >=97.0% (GC), K-9217, I14-7683, ACETICACID, 2-(2-PROPEN-1-YLOXY)-, ETHYL ESTER, F8889-9376, InChI=1/C7H12O3/c1-3-6(8)5-7(9)10-4-2/h3-5H2,1-2H3, ETHYLPropionylacetate, Ethylpropionyl acetate, Ethyl propionyl acetale, Ethyl methylacetoacetate, 3-oxo-pentanoicacid ethyl ester, C7H12O3, CID78656, AR-1I8915, C7-H12-O3, Ethyl propionylacetate, 98% - 25G 25g, 15224-07-4, 51660-15-2,

Complexity	129
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	5
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

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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