ethyl 1,3-dimethyl-2-oxocyclohexane-1-carboxylate 5183-62-0

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1 Kilogram	Negotiable

1 Kilogram

Negotiable

Min.Order :1 Kilogram
Purity: 98% min
Payment Terms : L/C,T/T,

Keywords

Cyclohexanecarboxylicacid, 1,3-dimethyl-2-oxo-, ethyl ester ethyl 1,3-dimethyl-2-oxocyclohexane-1-carboxylate 5183-62-0

Quick Details

Appearance:Liquid
Application:Organic Chemicals
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ProductionCapacity:100|Kilogram|Month
Storage:room temperature
Transportation:as requested

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Details:

Identification and Related Records
【Name】
Cyclohexanecarboxylicacid, 1,3-dimethyl-2-oxo-, ethyl ester
【CAS Registry number】
5183-62-0
【Synonyms】
2,6-Dimethyl-2-(ethoxycarbonyl)cyclohexanone
NSC 5317
【Molecular Formula】
C11H18 O3 (Products with the same molecular formula)
【Molecular Weight】
198.2588
【Inchi】
InChI=1/C11H18O3/c1-4-14-10(13)11(3)7-5-6-8(2)9(11)12/h8H,4-7H2,1-3H3
【Canonical SMILES】
CCOC(=O)C1(CCCC(C1=O)C)C
Chemical and Physical Properties
【Density】
1.014g/cm3
【Boiling Point】
263.7°Cat760mmHg
【Refractive Index】
1.451
【Flash Point】
109.5°C
【Computed Properties】
Molecular Weight:198.25882 [g/mol]
Molecular Formula:C11H18O3
XLogP3-AA:2.4
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:3
Tautomer Count:2
Exact Mass:198.125594
MonoIsotopic Mass:198.125594
Topological Polar Surface Area:43.4
Heavy Atom Count:14
Formal Charge:0
Complexity:247
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Ring Count:1
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:147

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