1,3-Propanediol,2,2-bis(hydroxymethyl)-, 1,3-diacetate 5419-74-9 CAS NO.5419-74-9

Min.Order Quantity:: 1 Gram

Purity:: 99%

Port:: SHANGHAI

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

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Product Details

Keywords

1,3-Propanediol,2,2-bis(hydroxymethyl)-, 1,3-diacetate
5419-74-9
98%

Quick Details

ProName: 1,3-Propanediol,2,2-bis(hydroxymethyl)...
CasNo: 5419-74-9
Molecular Formula: C9H16 O6
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: as client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 100 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

【name】
1,3-propanediol,2,2-bis(hydroxymethyl)-, 1,3-diacetate
【iupac name】
[2-(acetyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] acetate
【cas registry number】
5419-74-9
【synonyms】
1,3-propanediol,2,2-bis[(acetyloxy)methyl]- (9ci)
pentaerythritol, diacetate (7ci,8ci)
nsc9828
【molecular formula】
c9h16 o6 (products with the same molecular formula)
【molecular weight】
220.21974
【inchi】
inchi=1s/c9h16o6/c1-7(12)14-5-9(3-10,4-11)6-15-8(2)13/h10-11h,3-6h2,1-2h3
【canonical smiles】
cc(=o)occ(co)(co)coc(=o)c
chemical and physical properties
【computed properties】
molecular weight:220.21974 [g/mol]
molecular formula:c9h16o6
xlogp3-aa:-1.2
h-bond donor:2
h-bond acceptor:6
rotatable bond count:8
exact mass:220.094688
monoisotopic mass:220.094688
topological polar surface area:93.1
heavy atom count:15
formal charge:0
complexity:201
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:4
feature 3d donor count:2
effective rotor count:8
conformer sampling rmsd:0.8
cid conformer count:142