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  • Ethanone,1-[3-(acetyloxy)phenyl]
Name:Ethanone,1-[3-(acetyloxy)phenyl]
CAS No:2454-35-5

PRODUCT DESCRIPTION

【Name】
Ethanone,1-[3-(acetyloxy)phenyl]-
【Iupac name】
(3-acetylphenyl) acetate
【CAS Registry number】
2454-35-5
【Synonyms】
m-Acetylphenyl acetate
NSC 174054
Acetophenone,3'-hydroxy-, acetate (6CI,7CI,8CI)
3-Acetylphenyl acetate
【EINECS(EC#)】
219-524-8
【Molecular Formula】
C10H10O3 (Products with the same molecular formula)
【Molecular Weight】
178.18
【Inchi】
InChI=1/C10H10O3/c1-7(11)9-4-3-5-10(6-9)13-8(2)12/h3-6H,1-2H3
【Canonical SMILES】
CC(=O)C1=CC(=CC=C1)OC(=O)C
【MOL File】
2454-35-5.mol

Chemical and Physical Properties

【Appearance】
Very light yellow solid.
【Density】
1.123g/cm3
【Melting Point】
46
【Boiling Point】
147
【Vapour】
0.00208mmHg at 25°C
【Refractive Index】
1.512
【Flash Point】
126.5°C
【Stability】
Stable under normal temperatures and pressures.
【Storage temp】
Store in a cool, dry place. Keep container closed when not in use.
【Computed Properties】
Molecular Weight:178.1846 [g/mol]
Molecular Formula:C10H10O3
XLogP3:1.2
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:3
Tautomer Count:2
Exact Mass:178.062994
MonoIsotopic Mass:178.062994
Topological Polar Surface Area:43.4
Heavy Atom Count:13
Formal Charge:0
Complexity:210
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:2
Feature 3D Ring Count:1
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:48

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