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1249761-08-7 | Methyl 4-(3-chlorophenyl)-4-oxobutyrate
CAS No: 1249761-08-7 Catalog No: AG01FC97 MDL No:
Product Description
Catalog Number:
AG01FC97
Chemical Name:
Methyl 4-(3-chlorophenyl)-4-oxobutyrate
CAS Number:
1249761-08-7
Molecular Formula:
C11H11ClO3
Molecular Weight:
226.6562
IUPAC Name:
methyl 4-(3-chlorophenyl)-4-oxobutanoate
InChI:
InChI=1S/C11H11ClO3/c1-15-11(14)6-5-10(13)8-3-2-4-9(12)7-8/h2-4,7H,5-6H2,1H3
InChI Key:
SNPDGVYJSBNWSZ-UHFFFAOYSA-N
SMILES:
COC(=O)CCC(=O)c1cccc(c1)Cl
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.04g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.656g/mol
Monoisotopic Mass:
226.04g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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