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128351-41-7 | Methyl 5-(3-chlorophenyl)-5-oxovalerate
CAS No: 128351-41-7 Catalog No: AG01FCAL MDL No:
Product Description
Catalog Number:
AG01FCAL
Chemical Name:
Methyl 5-(3-chlorophenyl)-5-oxovalerate
CAS Number:
128351-41-7
Molecular Formula:
C12H13ClO3
Molecular Weight:
240.6828
IUPAC Name:
methyl 5-(3-chlorophenyl)-5-oxopentanoate
InChI:
InChI=1S/C12H13ClO3/c1-16-12(15)7-3-6-11(14)9-4-2-5-10(13)8-9/h2,4-5,8H,3,6-7H2,1H3
InChI Key:
BPFSDENPYBLQLI-UHFFFAOYSA-N
SMILES:
COC(=O)CCCC(=O)c1cccc(c1)Cl
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.055g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.683g/mol
Monoisotopic Mass:
240.055g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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