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1417460-51-5 | 4-(3-Chloro-6-methylphenyl)-4-oxobutyric acid
CAS No: 1417460-51-5 Catalog No: AG01FACM MDL No:
Product Description
Catalog Number:
AG01FACM
Chemical Name:
4-(3-Chloro-6-methylphenyl)-4-oxobutyric acid
CAS Number:
1417460-51-5
Molecular Formula:
C11H11ClO3
Molecular Weight:
226.6562
IUPAC Name:
4-(5-chloro-2-methylphenyl)-4-oxobutanoic acid
InChI:
InChI=1S/C11H11ClO3/c1-7-2-3-8(12)6-9(7)10(13)4-5-11(14)15/h2-3,6H,4-5H2,1H3,(H,14,15)
InChI Key:
AKAOHCARXNZCHF-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1C(=O)CCC(=O)O)Cl
Properties
Complexity:
252
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:
1
Isotope Atom Count:
0
Molecular Weight:
226.656g/mol
Monoisotopic Mass:
226.04g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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