Benzeneacetic acid, a,a-diphenyl-, methyl ester(CAS No. 5467-21-0) CAS NO.5467-21-0

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Product Details

Keywords

Benzeneacetic acid, a,a-diphenyl-, methyl ester
5467-21-0
98%

Quick Details

ProName: Benzeneacetic acid, a,a-diphenyl-, met...
CasNo: 5467-21-0
Molecular Formula: C21H18 O2
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】
Benzeneacetic acid, a,a-diphenyl-, methyl ester
【Iupac name】
methyl 2,2,2-triphenylacetate
【CAS Registry number】
5467-21-0
【Synonyms】
Aceticacid, triphenyl-, methyl ester (6CI,7CI,8CI)
Methyl triphenylacetate
NSC28082
Triphenylacetic Acid Methyl Ester
【Molecular Formula】
C21H18 O2 (Products with the same molecular formula)
【Molecular Weight】
302.36642
【Inchi】
InChI=1/C21H18O2/c1-23-20(22)21(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3
【Canonical SMILES】
COC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
【MOL File】
5467-21-0.mol
Chemical and Physical Properties
【Density】
1.122g/cm3
【Boiling Point】
416.8°Cat760mmHg
【Refractive Index】
1.587
【Flash Point】
148°C
【Computed Properties】
Molecular Weight:302.36642 [g/mol]
Molecular Formula:C21H18O2
XLogP3-AA:4.9
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:5
Exact Mass:302.13068
MonoIsotopic Mass:302.13068
Topological Polar Surface Area:26.3
Heavy Atom Count:23
Formal Charge:0
Complexity:326
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:1
Feature 3D Ring Count:3
Effective Rotor Count:5
Conformer Sampling RMSD:0.8
CID Conformer Count:3

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