Home Carboxys 3-Oxocyclohexanecarboxylic acid

3-Oxocyclohexanecarboxylic acid

CAS No.:
16205-98-4
Catalog Number:
AG001SOZ
Molecular Formula:
C7H10O3
Molecular Weight:
142.1525
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$144
- +
1g
95%
In Stock USA
United States
$363
- +
5g
95%
In Stock USA
United States
$1075
- +
10g
95%
In Stock USA
United States
$1750
- +
Product Description
Catalog Number:
AG001SOZ
Chemical Name:
3-Oxocyclohexanecarboxylic acid
CAS Number:
16205-98-4
Molecular Formula:
C7H10O3
Molecular Weight:
142.1525
MDL Number:
MFCD01320172
IUPAC Name:
3-oxocyclohexane-1-carboxylic acid
InChI:
InChI=1S/C7H10O3/c8-6-3-1-2-5(4-6)7(9)10/h5H,1-4H2,(H,9,10)
InChI Key:
WATQNARHYZXAGY-UHFFFAOYSA-N
SMILES:
O=C1CCCC(C1)C(=O)O
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.063g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
142.154g/mol
Monoisotopic Mass:
142.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Literature
Title Journal
(+/-)-3-Oxocyclohexanecarboxylic and -acetic acids: contrasting hydrogen-bonding patterns in two homologous keto acids. Acta crystallographica. Section C, Crystal structure communications 20020301
Properties