2,5-bis(benzo[1,3]dioxol-5-ylmethylidene)cyclopentan-1-one 5447-52-9 CAS NO.5447-52-9

Min.Order Quantity:: 1 Kilogram

Purity:: 99%

Port:: SHANGHAI

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

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Product Details

Keywords

2,5-bis(benzo[1,3]dioxol-5-ylmethylidene)cyclopentan-1-one
5447-52-9
98%

Quick Details

ProName: 2,5-bis(benzo[1,3]dioxol-5-ylmethylide...
CasNo: 5447-52-9
Molecular Formula: C21H16O5
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

Superiority

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Details

【name】
2,5-bis(1,3-benzodioxol-5-ylmethylidene)cyclopentanone
【iupac name】
2,5-bis(1,3-benzodioxol-5-ylmethylidene)cyclopentan-1-one
【cas registry number】
5447-52-9
【synonyms】
2,5-bis(1,3-benzodioxol-5-ylmethylidene)cyclopentan-1-one
maybridge1_003565
ac1l5ee7
cbdive_001205
5447-52-9
【molecular formula】
c21h16o5 (products with the same molecular formula)
【molecular weight】
348.3487
【inchi】
inchi=1/c21h16o5/c22-21-15(7-13-1-5-17-19(9-13)25-11-23-17)3-4-16(21)8-14-2-6-18-20(10-14)26-12-24-18/h1-2,5-10h,3-4,11-12h2
【canonical smiles】
c1cc(=cc2=cc3=c(c=c2)oco3)c(=o)c1=cc4=cc5=c(c=c4)oco5
【mol file】
5447-52-9.mol
chemical and physical properties
【density】
1.432g/cm3
【boiling point】
572.5°c at 760 mmhg
【refractive index】
1.727
【flash point】
253.7°c
【computed properties】
molecular weight:348.34874 [g/mol]
molecular formula:c21h16o5
xlogp3-aa:4.1
h-bond donor:0
h-bond acceptor:5
rotatable bond count:2
exact mass:348.099774
monoisotopic mass:348.099774
topological polar surface area:54
heavy atom count:26
formal charge:0
complexity:572
isotope atom count:0
defined atom stereocenter count:0
undefined atom stereocenter count:0
defined bond stereocenter count:0
undefined bond stereocenter count:2
covalently-bonded unit count:1
feature 3d acceptor count:5
feature 3d ring count:5
effective rotor count:3.6
conformer sampling rmsd:0.8
cid conformer count:7