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1713-01-5 | 5-(4-Chlorophenyl)-3-methyl-5-oxovaleric acid
CAS No: 1713-01-5 Catalog No: AG01FAGM MDL No:
Product Description
Catalog Number:
AG01FAGM
Chemical Name:
5-(4-Chlorophenyl)-3-methyl-5-oxovaleric acid
CAS Number:
1713-01-5
Molecular Formula:
C12H13ClO3
Molecular Weight:
240.6828
IUPAC Name:
5-(4-chlorophenyl)-3-methyl-5-oxopentanoic acid
InChI:
InChI=1S/C12H13ClO3/c1-8(7-12(15)16)6-11(14)9-2-4-10(13)5-3-9/h2-5,8H,6-7H2,1H3,(H,15,16)
InChI Key:
BDZFSYCYWNYWPH-UHFFFAOYSA-N
SMILES:
CC(CC(=O)O)CC(=O)c1ccc(cc1)Cl
Properties
Complexity:
257
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:
1
Isotope Atom Count:
0
Molecular Weight:
240.683g/mol
Monoisotopic Mass:
240.055g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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