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Home Carboxys 3-Oxocyclopentanecarboxylic acid

3-Oxocyclopentanecarboxylic acid

CAS No.:
98-78-2
Catalog Number:
AG0033RY
Molecular Formula:
C6H8O3
Molecular Weight:
128.1259
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$35
- +
5g
97%
In Stock USA
United States
$107
- +
10g
97%
In Stock USA
United States
$175
- +
25g
97%
In Stock USA
United States
$350
- +
100g
97%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG0033RY
Chemical Name:
3-Oxocyclopentanecarboxylic acid
CAS Number:
98-78-2
Molecular Formula:
C6H8O3
Molecular Weight:
128.1259
MDL Number:
MFCD01320173
IUPAC Name:
3-oxocyclopentane-1-carboxylic acid
InChI:
InChI=1S/C6H8O3/c7-5-2-1-4(3-5)6(8)9/h4H,1-3H2,(H,8,9)
InChI Key:
RDSNBKRWKBMPOP-UHFFFAOYSA-N
SMILES:
O=C1CCC(C1)C(=O)O
NSC Number:
19869
Properties
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.047g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
128.127g/mol
Monoisotopic Mass:
128.047g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Literature
Title Journal
3-Oxocyclo-butane-carboxylic acid: hydrogen bonding in a small-ring γ-keto acid. Acta crystallographica. Section E, Structure reports online 20090301
Modifications of the pyroglutamic acid and histidine residues in thyrotropin-releasing hormone (TRH) yield analogs with selectivity for TRH receptor type 2 over type 1. Bioorganic & medicinal chemistry 20070101
(+/-)-3-Oxocyclopentanecarboxylic acid: The smallest keto acid known to aggregate by catemeric hydrogen bonding. Acta crystallographica. Section C, Crystal structure communications 20061201
Properties