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Home Carboxys 1-(4-Chlorophenyl)-4-oxocyclohexanecarboxylic acid

1-(4-Chlorophenyl)-4-oxocyclohexanecarboxylic acid

CAS No.:
854446-73-4
Catalog Number:
AG003CYZ
Molecular Formula:
C13H13ClO3
Molecular Weight:
252.6935
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
1 week
United States
$141
- +
Product Description
Catalog Number:
AG003CYZ
Chemical Name:
1-(4-Chlorophenyl)-4-oxocyclohexanecarboxylic acid
CAS Number:
854446-73-4
Molecular Formula:
C13H13ClO3
Molecular Weight:
252.6935
MDL Number:
MFCD06410576
IUPAC Name:
1-(4-chlorophenyl)-4-oxocyclohexane-1-carboxylic acid
InChI:
InChI=1S/C13H13ClO3/c14-10-3-1-9(2-4-10)13(12(16)17)7-5-11(15)6-8-13/h1-4H,5-8H2,(H,16,17)
InChI Key:
FKYDNMYCXJKDIR-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCC(=O)CC1)c1ccc(cc1)Cl
Properties
Complexity:
309  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.055g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.694g/mol
Monoisotopic Mass:
252.055g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties