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100117-62-2 | Benzeneacetic acid, 3,5-dimethyl-α-oxo-, ethyl ester
CAS No: 100117-62-2 Catalog No: AG000100 MDL No:MFCD01311166
Product Description
Catalog Number:
AG000100
Chemical Name:
Benzeneacetic acid, 3,5-dimethyl-α-oxo-, ethyl ester
CAS Number:
100117-62-2
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
MDL Number:
MFCD01311166
IUPAC Name:
ethyl 2-(3,5-dimethylphenyl)-2-oxoacetate
InChI:
InChI=1S/C12H14O3/c1-4-15-12(14)11(13)10-6-8(2)5-9(3)7-10/h5-7H,4H2,1-3H3
InChI Key:
FSLQIQOXXSVLCU-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)c1cc(C)cc(c1)C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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