2-phenoxyethyl phenoxyacetate 5421-29-4 CAS NO.5421-29-4

Min.Order: 1 Gram
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Product Details

Keywords

2-phenoxyethyl 2-phenoxyacetate
5421-29-4
98%

Quick Details

ProName: 2-phenoxyethyl phenoxyacetate 5421-29...
CasNo: 5421-29-4
Molecular Formula: C16H16O4
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
Heavy metal: N/A
Grade: Industrial Grade

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Details

【Name】
2-phenoxyethyl phenoxyacetate
【Iupac name】
2-phenoxyethyl 2-phenoxyacetate
【CAS Registry number】
5421-29-4
【Synonyms】
2-phenoxyethyl phenoxyacetate
5421-29-4
NSC6680
AC1L5AOW
AC1Q68A7
2-phenoxyethyl 2-phenoxyacetate
NSC-6680
AR-1E4775
【Molecular Formula】
C16H16O4 (Products with the same molecular formula)
【Molecular Weight】
272.2958
【Inchi】
InChI=1/C16H16O4/c17-16(13-20-15-9-5-2-6-10-15)19-12-11-18-14-7-3-1-4-8-14/h1-10H,11-13H2
【Canonical SMILES】
C1=CC=C(C=C1)OCCOC(=O)COC2=CC=CC=C2
【MOL File】
5421-29-4.mol
Chemical and Physical Properties
【Density】
1.159g/cm3
【Boiling Point】
387.4°C at 760 mmHg
【Refractive Index】
1.55
【Flash Point】
170.3°C
【Computed Properties】
Molecular Weight:272.29584 [g/mol]
Molecular Formula:C16H16O4
XLogP3-AA:3.5
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:8
Exact Mass:272.104859
MonoIsotopic Mass:272.104859
Topological Polar Surface Area:44.8
Heavy Atom Count:20
Formal Charge:0
Complexity:268
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:3
Feature 3D Ring Count:2
Effective Rotor Count:8
Conformer Sampling RMSD:0.8
CID Conformer Count:467

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