2,5-bis(4-methoxybenzylidene)cyclopentanone 5447-53-0 CAS NO.5447-53-0

Min.Order: 1 Gram
Payment Terms: L/C,T/T,

Product Details

Keywords

2,5-bis[(4-methoxyphenyl)methylidene]cyclopentan-1-one
5447-53-0
98%

Quick Details

ProName: 2,5-bis(4-methoxybenzylidene)cyclopent...
CasNo: 5447-53-0
Molecular Formula: C21H20O3
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 Gram

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Details

【Name】
2,5-bis(4-methoxybenzylidene)cyclopentanone
【Iupac name】
2,5-bis[(4-methoxyphenyl)methylidene]cyclopentan-1-one
【CAS Registry number】
5447-53-0
【Synonyms】
2,5-bis[(4-methoxyphenyl)methylidene]cyclopentan-1-one
Maybridge1_003477
AC1L5EE8
5447-53-0
【Molecular Formula】
C21H20O3 (Products with the same molecular formula)
【Molecular Weight】
320.3817
【Inchi】
InChI=1/C21H20O3/c1-23-19-9-3-15(4-10-19)13-17-7-8-18(21(17)22)14-16-5-11-20(24-2)12-6-16/h3-6,9-14H,7-8H2,1-2H3
【Canonical SMILES】
COC1=CC=C(C=C1)C=C2CCC(=CC3=CC=C(C=C3)OC)C2=O
【MOL File】
5447-53-0.mol
Chemical and Physical Properties
【Density】
1.191g/cm3
【Boiling Point】
538.4°C at 760 mmHg
【Refractive Index】
1.648
【Flash Point】
272°C
【Computed Properties】
Molecular Weight:320.3817 [g/mol]
Molecular Formula:C21H20O3
XLogP3-AA:4.5
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:4
Exact Mass:320.141245
MonoIsotopic Mass:320.141245
Topological Polar Surface Area:35.5
Heavy Atom Count:24
Formal Charge:0
Complexity:445
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:3
Feature 3D Ring Count:3
Effective Rotor Count:4.4
Conformer Sampling RMSD:0.8
CID Conformer Count:3

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