Aceticacid, 2-phenoxy-, 2-methoxy-1-methylethyl ester 5420-90-6 CAS NO.5420-90-6

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

Product Details

Keywords

Aceticacid, 2-phenoxy-, 2-methoxy-1-methylethyl ester
5420-90-6
98%

Quick Details

ProName: Aceticacid, 2-phenoxy-, 2-methoxy-1-me...
CasNo: 5420-90-6
Molecular Formula: C12H16 O4
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】
Aceticacid, 2-phenoxy-, 2-methoxy-1-methylethyl ester
【Iupac name】
1-methoxypropan-2-yl 2-phenoxyacetate
【CAS Registry number】
5420-90-6
【Synonyms】
Aceticacid, phenoxy-, 2-methoxy-1-methylethyl ester (9CI)
NSC 6612
【Molecular Formula】
C12H16 O4 (Products with the same molecular formula)
【Molecular Weight】
224.253
【Inchi】
InChI=1/C12H16O4/c1-10(8-14-2)16-12(13)9-15-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
【Canonical SMILES】
CC(COC)OC(=O)COC1=CC=CC=C1
Chemical and Physical Properties
【Density】
1.087g/cm3
【Boiling Point】
316.6°Cat760mmHg
【Refractive Index】
1.489
【Flash Point】
137°C
【Computed Properties】
Molecular Weight:224.25304 [g/mol]
Molecular Formula:C12H16O4
XLogP3-AA:2.1
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:7
Exact Mass:224.104859
MonoIsotopic Mass:224.104859
Topological Polar Surface Area:44.8
Heavy Atom Count:16
Formal Charge:0
Complexity:199
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Ring Count:1
Effective Rotor Count:7
Conformer Sampling RMSD:0.8
CID Conformer Count:261

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