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1443311-13-4 | Methyl 5-(3,5-dichlorophenyl)-3-methyl-5-oxovalerate
CAS No: 1443311-13-4 Catalog No: AG01F8JP MDL No:
Product Description
Catalog Number:
AG01F8JP
Chemical Name:
Methyl 5-(3,5-dichlorophenyl)-3-methyl-5-oxovalerate
CAS Number:
1443311-13-4
Molecular Formula:
C13H14Cl2O3
Molecular Weight:
289.1545
IUPAC Name:
methyl 5-(3,5-dichlorophenyl)-3-methyl-5-oxopentanoate
InChI:
InChI=1S/C13H14Cl2O3/c1-8(4-13(17)18-2)3-12(16)9-5-10(14)7-11(15)6-9/h5-8H,3-4H2,1-2H3
InChI Key:
XJTFIYGZBXBYGH-UHFFFAOYSA-N
SMILES:
COC(=O)CC(CC(=O)c1cc(Cl)cc(c1)Cl)C
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.032g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.152g/mol
Monoisotopic Mass:
288.032g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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