2-Propen-1-one,3-(2,5-dimethoxyphenyl)-1-(2-hydroxyphenyl)- 5452-99-3 CAS NO.5452-99-3

Min.Order: 1 Kilogram
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Product Details

Keywords

2-Propen-1-one,3-(2,5-dimethoxyphenyl)-1-(2-hydroxyphenyl)-
5452-99-3
98%

Quick Details

ProName: 2-Propen-1-one,3-(2,5-dimethoxyphenyl)...
CasNo: 5452-99-3
Molecular Formula: C17H16 O4
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 Kilogram
Grade: Industrial Grade

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Details

【Name】
2-Propen-1-one,3-(2,5-dimethoxyphenyl)-1-(2-hydroxyphenyl)-
【CAS Registry number】
5452-99-3
【Synonyms】
2'-Hydroxy-2,5-dimethoxychalcone
NSC 19033
【Molecular Formula】
C17H16 O4 (Products with the same molecular formula)
【Molecular Weight】
284.3065
【Inchi】
InChI=1/C17H16O4/c1-20-13-8-10-17(21-2)12(11-13)7-9-16(19)14-5-3-4-6-15(14)18/h3-11,18H,1-2H3
【Canonical SMILES】
COC1=CC(=C(C=C1)OC)C=CC(=O)C2=CC=CC=C2O
Chemical and Physical Properties
【Density】
1.203g/cm3
【Boiling Point】
472.3°Cat760mmHg
【Refractive Index】
1.614
【Flash Point】
174°C
【Computed Properties】
Molecular Weight:284.30654 [g/mol]
Molecular Formula:C17H16O4
XLogP3-AA:3.8
H-Bond Donor:1
H-Bond Acceptor:4
Rotatable Bond Count:5
Tautomer Count:5
Exact Mass:284.104859
MonoIsotopic Mass:284.104859
Topological Polar Surface Area:55.8
Heavy Atom Count:21
Formal Charge:0
Complexity:366
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Donor Count:1
Feature 3D Ring Count:2
Effective Rotor Count:5
Conformer Sampling RMSD:0.8
CID Conformer Count:56

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