AG003LC3

5441-51-0 | 4-Ethylcyclohexanone

AG003LC3

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CAS Number	5441-51-0
Catalog Number	AG003LC3(AGN-PC-0JLS1T)
Chemical Name	4-Ethylcyclohexanone
EC Number	226-629-2
IUPAC Name	4-ethylcyclohexan-1-one
InChI	InChI=1S/C8H14O/c1-2-7-3-5-8(9)6-4-7/h7H,2-6H2,1H3
InChI Key	OKSDJGWHKXFVME-UHFFFAOYSA-N
MDL Number	MFCD00001644
Molecular Formula	C8H14O
Molecular Weight	126.1962
NSC Number	21120
SMILES	C(C)C1CCC(=O)CC1
Synonyms	4-Ethylcyclohexanone, 5441-51-0, Cyclohexanone, 4-ethyl-, 4-ethylcyclohexan-1-one, OKSDJGWHKXFVME-UHFFFAOYSA-N, MFCD00001644, trans-4-ethylcyclohexanone, NSC21120, EINECS 226-629-2, 4-Ethyl-cyclohexanone, AC1Q2UAN, AC1Q6EJR, 1-Ethyl-4-oxocyclohexane, ACMC-1ARU9, AC1L2XJ0, 4-Ethylcyclohexanone, 97%, SCHEMBL87369, KSC273S8L, CTK1H3985, OKSDJGWHKXFVME-UHFFFAOYSA-, DTXSID20202807, ZINC1577378, ANW-32070, NSC-21120, SBB059272, AKOS000119710, ACN-036219, CS-W011153, MCULE-4419010963, RTR-019242, TRA0096621, VZ28972, AJ-27402, AK-47285, BR-47285, CJ-05462, DS-14332, DB-009039, TR-019242, E0398, FT-0618411, ST24032789, ST51037923, W6868, M-5029, I14-6921, W-111723, Z1250132579, InChI=1/C8H14O/c1-2-7-3-5-8(9)6-4-7/h7H,2-6H2,1H3, C8H14O, C8-H14-O, CID79506, AR-1G2257, 4-Ethylcyclohexanone, 99% - 100G 100g, 56046-35-6,

Complexity	97.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	126.104g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	126.199g/mol
Monoisotopic Mass	126.104g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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

Lot Number