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1443327-41-0 | Methyl 5-(4-chloro-3-methylphenyl)-5-oxovalerate
CAS No: 1443327-41-0 Catalog No: AG01F9KK MDL No:
Product Description
Catalog Number:
AG01F9KK
Chemical Name:
Methyl 5-(4-chloro-3-methylphenyl)-5-oxovalerate
CAS Number:
1443327-41-0
Molecular Formula:
C13H15ClO3
Molecular Weight:
254.7094
IUPAC Name:
methyl 5-(4-chloro-3-methylphenyl)-5-oxopentanoate
InChI:
InChI=1S/C13H15ClO3/c1-9-8-10(6-7-11(9)14)12(15)4-3-5-13(16)17-2/h6-8H,3-5H2,1-2H3
InChI Key:
HRKZDTJLJBTKKB-UHFFFAOYSA-N
SMILES:
COC(=O)CCCC(=O)c1ccc(c(c1)C)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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