Home Carboxys Methyl 4-oxo-1-phenylcyclohexanecarboxylate

Methyl 4-oxo-1-phenylcyclohexanecarboxylate

CAS No.:
75945-90-3
Catalog Number:
AG005SX3
Molecular Formula:
C14H16O3
Molecular Weight:
232.2750
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$239
- +
1g
97%
1 week
United States
$580
- +
Product Description
Catalog Number:
AG005SX3
Chemical Name:
Methyl 4-oxo-1-phenylcyclohexanecarboxylate
CAS Number:
75945-90-3
Molecular Formula:
C14H16O3
Molecular Weight:
232.2750
MDL Number:
MFCD09834757
IUPAC Name:
methyl 4-oxo-1-phenylcyclohexane-1-carboxylate
InChI:
InChI=1S/C14H16O3/c1-17-13(16)14(9-7-12(15)8-10-14)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChI Key:
GGXCTCTZXOECJP-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CCC(=O)CC1)c1ccccc1
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.11g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.279g/mol
Monoisotopic Mass:
232.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties