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1443307-63-8 | 5-(4-Chloro-3,5-dimethylphenyl)-5-oxovaleric acid
CAS No: 1443307-63-8 Catalog No: AG01F9B1 MDL No:
Product Description
Catalog Number:
AG01F9B1
Chemical Name:
5-(4-Chloro-3,5-dimethylphenyl)-5-oxovaleric acid
CAS Number:
1443307-63-8
Molecular Formula:
C13H15ClO3
Molecular Weight:
254.7094
IUPAC Name:
5-(4-chloro-3,5-dimethylphenyl)-5-oxopentanoic acid
InChI:
InChI=1S/C13H15ClO3/c1-8-6-10(7-9(2)13(8)14)11(15)4-3-5-12(16)17/h6-7H,3-5H2,1-2H3,(H,16,17)
InChI Key:
ZJLZAHZNOBNECP-UHFFFAOYSA-N
SMILES:
O=C(c1cc(C)c(c(c1)C)Cl)CCCC(=O)O
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:
1
Isotope Atom Count:
0
Molecular Weight:
254.71g/mol
Monoisotopic Mass:
254.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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