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951889-73-9 | Ethyl 4-(4-Chloro-2-methylphenyl)-4-oxobutanoate
CAS No: 951889-73-9 Catalog No: AG01F9OO MDL No:
Product Description
Catalog Number:
AG01F9OO
Chemical Name:
Ethyl 4-(4-Chloro-2-methylphenyl)-4-oxobutanoate
CAS Number:
951889-73-9
Molecular Formula:
C13H15ClO3
Molecular Weight:
254.7094
IUPAC Name:
ethyl 4-(4-chloro-2-methylphenyl)-4-oxobutanoate
InChI:
InChI=1S/C13H15ClO3/c1-3-17-13(16)7-6-12(15)11-5-4-10(14)8-9(11)2/h4-5,8H,3,6-7H2,1-2H3
InChI Key:
WQNPJRKEYAURRP-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(=O)c1ccc(cc1C)Cl
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.071g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.71g/mol
Monoisotopic Mass:
254.071g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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