1,3-Dioxane-4,6-dione,5,5-diethyl-2,2-dipropyl- 5408-18-4 CAS NO.5408-18-4

Min.Order Quantity:: 1 Kilogram

Purity:: 99%

Port:: SHANGHAI

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

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Product Details

Keywords

1,3-Dioxane-4,6-dione,5,5-diethyl-2,2-dipropyl-
5408-18-4
98%

Quick Details

ProName: 1,3-Dioxane-4,6-dione,5,5-diethyl-2,2-...
CasNo: 5408-18-4
Molecular Formula: C14H24O4
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: according to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 100 Kilogram/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Kilogram
Heavy metal: N/A
Grade: Industrial Grade

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Details

【name】
1,3-dioxane-4,6-dione,5,5-diethyl-2,2-dipropyl-
【iupac name】
[(1s,2r,4s,5r)-2,3,4-trihydroxy-5,6-diphosphonooxycyclohexyl] dihydrogen
phosphate
【cas registry number】
5408-18-4
【synonyms】
malonicacid, diethyl-, cyclic 1-propylbutylidene ester (8ci)
nsc 10779
【molecular formula】
c14h24o4 (products with the same molecular formula)
【molecular weight】
256.338
【inchi】
inchi=1/c14h24o4/c1-5-9-14(10-6-2)17-11(15)13(7-3,8-4)12(16)18-14/h5-10h2,1-4h3
【canonical smiles】
cccc1(oc(=o)c(c(=o)o1)(cc)cc)ccc
chemical and physical properties
【density】
0.979g/cm3
【boiling point】
403.1°cat760mmhg
【refractive index】
1.435
【flash point】
200.7°c
【computed properties】
molecular weight:256.33796 [g/mol]
molecular formula:c14h24o4
xlogp3-aa:4
h-bond donor:0
h-bond acceptor:4
rotatable bond count:6
exact mass:256.167459
monoisotopic mass:256.167459
topological polar surface area:52.6
heavy atom count:18
formal charge:0
complexity:290
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:2
feature 3d hydrophobe count:4
feature 3d ring count:1
effective rotor count:6.8
conformer sampling rmsd:0.8
cid conformer count:12