AG0037LB

5753-96-8 | Ethyl 2-oxohexanoate

AG0037LB

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CAS Number	5753-96-8
Catalog Number	AG0037LB(AGN-PC-0N131U)
Chemical Name	Ethyl 2-oxohexanoate
IUPAC Name	ethyl 2-oxohexanoate
InChI	InChI=1S/C8H14O3/c1-3-5-6-7(9)8(10)11-4-2/h3-6H2,1-2H3
InChI Key	WRQGPGZATPOHHX-UHFFFAOYSA-N
MDL Number	MFCD09952021
Molecular Formula	C8H14O3
Molecular Weight	158.1950
SMILES	CCCCC(=O)C(=O)OCC
Synonyms	ethyl 2-oxohexanoate, 5753-96-8, Hexanoic acid, 2-oxo-, ethyl ester, 2-OXOHEXANOIC ACID ETHYL ESTER, 2-KETO HEXANOIC ACID ETHYL ESTER, AK-46512, Ethyl2-oxohexanoate, Ethyl a-ketocaproate, PubChem18138, ethyl alpha-oxo-hexanoate, KSC269I9R, SCHEMBL910019, ETHYL ALPHA-KETOCAPROATE, AMOT0214, 2-oxo-hexanoic acid ethyl ester, CTK1G9498, DTXSID90437028, WRQGPGZATPOHHX-UHFFFAOYSA-N, EBD51886, ANW-50521, MFCD09952021, ZINC14619639, AKOS005063424, AM85828, DS-1135, PB13106, RTR-020081, AJ-65030, BR-46512, CJ-14576, SC-20394, AB0025604, AX8129257, DB-001371, TR-020081, 4CH-007299, CS-0049501, FT-0650158, ST24030531, W7093, S-2165, 753E968, I14-1906, C8H14O3, CID10236026, A8206,

Complexity	140
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.094g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	158.197g/mol
Monoisotopic Mass	158.094g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number