Home Carboxys 4-Oxo-cyclohexanecarboxylic acid methyl ester

4-Oxo-cyclohexanecarboxylic acid methyl ester

CAS No.:
6297-22-9
Catalog Number:
AG00E9C2
Molecular Formula:
C8H12O3
Molecular Weight:
156.1791
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$13
- +
5g
95%
In Stock USA
United States
$32
- +
25g
95%
In Stock USA
United States
$100
- +
100g
95%
In Stock USA
United States
$363
- +
Product Description
Catalog Number:
AG00E9C2
Chemical Name:
4-Oxo-cyclohexanecarboxylic acid methyl ester
CAS Number:
6297-22-9
Molecular Formula:
C8H12O3
Molecular Weight:
156.1791
MDL Number:
MFCD00270324
IUPAC Name:
methyl 4-oxocyclohexane-1-carboxylate
InChI:
InChI=1S/C8H12O3/c1-11-8(10)6-2-4-7(9)5-3-6/h6H,2-5H2,1H3
InChI Key:
BLYKGTCYDJZLFB-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCC(=O)CC1
EC Number:
613-123-5
NSC Number:
17321
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.079g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.181g/mol
Monoisotopic Mass:
156.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties