Home Carboxys 4-Oxo-1-phenylcyclohexanecarboxylic acid

4-Oxo-1-phenylcyclohexanecarboxylic acid

CAS No.:
75945-91-4
Catalog Number:
AG00G5IL
Molecular Formula:
C13H14O3
Molecular Weight:
218.2485
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$319
- +
1g
96%
In Stock USA
United States
$800
- +
Product Description
Catalog Number:
AG00G5IL
Chemical Name:
4-Oxo-1-phenylcyclohexanecarboxylic acid
CAS Number:
75945-91-4
Molecular Formula:
C13H14O3
Molecular Weight:
218.2485
MDL Number:
MFCD06208311
IUPAC Name:
4-oxo-1-phenylcyclohexane-1-carboxylic acid
InChI:
InChI=1S/C13H14O3/c14-11-6-8-13(9-7-11,12(15)16)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,15,16)
InChI Key:
GLXVJOPRMXBHSI-UHFFFAOYSA-N
SMILES:
OC(=O)C1(CCC(=O)CC1)c1ccccc1
NSC Number:
400458
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.094g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.252g/mol
Monoisotopic Mass:
218.094g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties