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51725-82-7 | Ethyl 3-oxo-3-(o-tolyl)propanoate
CAS No: 51725-82-7 Catalog No: AG003PZ5 MDL No:MFCD03424817
Product Description
Catalog Number:
AG003PZ5
Chemical Name:
Ethyl 3-oxo-3-(o-tolyl)propanoate
CAS Number:
51725-82-7
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
MDL Number:
MFCD03424817
IUPAC Name:
ethyl 3-(2-methylphenyl)-3-oxopropanoate
InChI:
InChI=1S/C12H14O3/c1-3-15-12(14)8-11(13)10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3
InChI Key:
UNULPFKXRJPSCO-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)c1ccccc1C
Properties
Complexity:
235
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:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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