- 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
Our company was built in 2009 with an ISO certificate.In the past 5 years, we have grown up as a famous fine chemicals supplier in China and we had established stable business relationships with Samsung,LG,Merck,Thermo Fisher Scientific and so on.Our main business covers the fields below: 1.Noble Metal Catalysts (Pt.Pd...) 2.Organic Phosphine Ligands (Tert-butyl-phosphine.Cyclohexyl-phosphine...) 3.OLED intermediates (Fluorene,Carbazole,Boric acid...) 4.Customs Synthesis Our advantage: 1. Higest quality and good package 2.Fast delivery 3.Better payment term 4.Fast response to customer within 6 hours 5.Good business credit in Europe ,US ,Japan ,Korea Anyway ,if you need any chemicals from China ,Henan Tianfu can help you |
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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