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1443324-65-9 | 4-(4-Chloro-3,5-dimethylphenyl)-4-oxobutyric acid
CAS No: 1443324-65-9 Catalog No: AG01F9BD MDL No:
Product Description
Catalog Number:
AG01F9BD
Chemical Name:
4-(4-Chloro-3,5-dimethylphenyl)-4-oxobutyric acid
CAS Number:
1443324-65-9
Molecular Formula:
C12H13ClO3
Molecular Weight:
240.6828
IUPAC Name:
4-(4-chloro-3,5-dimethylphenyl)-4-oxobutanoic acid
InChI:
InChI=1S/C12H13ClO3/c1-7-5-9(6-8(2)12(7)13)10(14)3-4-11(15)16/h5-6H,3-4H2,1-2H3,(H,15,16)
InChI Key:
IMMJVBKFVALYMO-UHFFFAOYSA-N
SMILES:
O=C(c1cc(C)c(c(c1)C)Cl)CCC(=O)O
Properties
Complexity:
265
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:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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