AG00382D

34036-16-3 | 5-Methyl-3-Oxo-Hexanoic Acid Ethyl Ester

AG00382D

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CAS Number	34036-16-3
Catalog Number	AG00382D(AGN-PC-0JM1U4)
Chemical Name	5-Methyl-3-Oxo-Hexanoic Acid Ethyl Ester
EC Number	251-802-4
IUPAC Name	ethyl 5-methyl-3-oxohexanoate
InChI	InChI=1S/C9H16O3/c1-4-12-9(11)6-8(10)5-7(2)3/h7H,4-6H2,1-3H3
InChI Key	FNVGQABNHXEIBU-UHFFFAOYSA-N
MDL Number	MFCD00086868
Molecular Formula	C9H16O3
Molecular Weight	172.2215
NSC Number	69069
SMILES	C(C)OC(CC(CC(C)C)=O)=O
Synonyms	Ethyl 5-methyl-3-oxohexanoate, 34036-16-3, 5-METHYL-3-OXO-HEXANOIC ACID ETHYL ESTER, Hexanoic acid, 5-methyl-3-oxo-, ethyl ester, ethyl isopropylacetoacetate, 5-methyl-3-oxohexanoic acid ethyl ester, NSC69069, EINECS 251-802-4, AI3-05829, ACMC-1AD0U, AC1L3W8Z, AC1Q5GW3, SCHEMBL15344, ethyl 5-methyl-3-oxo-hexanoate, CTK4H1651, DTXSID00187643, FNVGQABNHXEIBU-UHFFFAOYSA-N, 4-Chloro-2,2:6,2-Terpyridine, EBD41062, KS-00001KK9, ZINC1695424, 5-Methyl-3-oxo-hexanoic acid ethyl, 4048AB, AB1436, ANW-27768, MFCD00086868, NSC-69069, AKOS010951794, CS-W006805, MCULE-3386128300, 3-Oxo-5-methylhexanoic acid ethyl ester, ethyl 5-methyl-3-oxidanylidene-hexanoate, AJ-30281, AK-48170, AS-44580, CJ-06586, CJ-28440, SC-45572, 3-isopropyl-3-oxo-butyric acid ethyl ester, AB0056231, DB-007083, RT-003378, ST2419367, 4CH-012947, AM20090520, FT-0082376, FT-0602631, Hexanoic acid,5-methyl-3-oxo-, ethyl ester, A24530, K-7812, A822664, I14-11055, Z1404660507, Ethyl5-methyl-3-oxohexanoate, C9H16O3, CID96344, AR-1I9455, C9-H16-O3, 352-32-9, 128143-89-5,

Complexity	161
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.11g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	172.224g/mol
Monoisotopic Mass	172.11g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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