ethyl 2-(2,6-dioxocyclohexyl)acetate 52158-88-0 CAS NO.52158-88-0

Min.Order Quantity:: 1 Gram

Purity:: 99%

Port:: SHANGHAI

Payment Terms:: L/C,T/T,

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Product Details

Keywords

Cyclohexaneacetic acid,2,6-dioxo-, ethyl ester
ethyl 2-(2,6-dioxocyclohexyl)acetate
52158-88-0

Quick Details

ProName: ethyl 2-(2,6-dioxocyclohexyl)acetate ...
CasNo: 52158-88-0
Molecular Formula: C10H14O4
Appearance: Liquid
Application: Organic Chemicals
DeliveryTime: as client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 10 Kilogram/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Gram
Heavy metal: N/A
Grade: Industrial Grade

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Details

identification and related records
【name】
cyclohexaneacetic acid,2,6-dioxo-, ethyl ester
【iupac name】
ethyl 2-(2,6-dioxocyclohexyl)acetate
【cas registry number】
52158-88-0
【synonyms】
nsc 143243
【molecular formula】
c10h14 o4 (products with the same molecular formula)
【molecular weight】
198.2158
【inchi】
inchi=1/c10h14o4/c1-2-14-10(13)6-7-8(11)4-3-5-9(7)12/h7h,2-6h2,1h3
【canonical smiles】
ccoc(=o)cc1c(=o)cccc1=o
chemical and physical properties
【density】
1.142g/cm3
【boiling point】
323.1°c at 760 mmhg
【refractive index】
1.468
【flash point】
142.6°c
【computed properties】
molecular weight:198.21576 [g/mol]
molecular formula:c10h14o4
xlogp3-aa:0.2
h-bond donor:0
h-bond acceptor:4
rotatable bond count:4
tautomer count:5
exact mass:198.089209
monoisotopic mass:198.089209
topological polar surface area:60.4
heavy atom count:14
formal charge:0
complexity:241
isotope atom count:0
defined atom stereocenter count:0
undefined atom stereocenter count:0
defined bond stereocenter count:0
undefined bond stereocenter count:0
covalently-bonded unit count:1
feature 3d acceptor count:3
feature 3d anion count:1
feature 3d ring count:1
effective rotor count:4.8
conformer sampling rmsd:0.6
cid conformer count:66