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100519-34-4 | Benzeneacetic acid, 4-(acetyloxy)-α-oxo-, ethyl ester
CAS No: 100519-34-4 Catalog No: AG000289 MDL No:
Product Description
Catalog Number:
AG000289
Chemical Name:
Benzeneacetic acid, 4-(acetyloxy)-α-oxo-, ethyl ester
CAS Number:
100519-34-4
Molecular Formula:
C12H12O5
Molecular Weight:
236.2207
IUPAC Name:
ethyl 2-(4-acetyloxyphenyl)-2-oxoacetate
InChI:
InChI=1S/C12H12O5/c1-3-16-12(15)11(14)9-4-6-10(7-5-9)17-8(2)13/h4-7H,3H2,1-2H3
InChI Key:
YLQROMILHQCUBD-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)c1ccc(cc1)OC(=O)C
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.068g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.223g/mol
Monoisotopic Mass:
236.068g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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