1,1-Cyclopentanediacetic Acid
Product Information
Molecular Formula
C9H14O4
Molecular Weight
186.21
Description
1,1-Cyclopentanediacetic Acid (CAS# 16713-66-9) is a useful research chemical.
Synonyms
2-[1-(carboxymethyl)cyclopentyl]acetic acid; 2-[1-(carboxymethyl)cyclopentyl]acetic acid
IUPAC Name
2-[1-(carboxymethyl)cyclopentyl]acetic acid
SMILES
C1CCC(C1)(CC(=O)O)CC(=O)O
InChI
InChI=1S/C9H14O4/c10-7(11)5-9(6-8(12)13)3-1-2-4-9/h1-6H2,(H,10,11)(H,12,13)
InChI Key
FWPVKDFOUXHOKQ-UHFFFAOYSA-N
Boiling Point
396.2 °C at 760 mmHg
Melting Point
177 °C
Purity
> 98.0 % (GC) (T)
Density
1.228 g/cm3
Appearance
White to almost white powder to crystal
LogP
1.49620
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
XLogP3
1.3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
186.08920892 g/mol
Monoisotopic Mass
186.08920892 g/mol
Topological Polar Surface Area
74.6Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
198
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| WO-2022044823-A1 | Layered body and display device | 2020-08-31 |
| WO-2021232015-A1 | Platelet derived extracellular vesicles | 2020-05-15 |
| WO-2021217028-A1 | Compositions and methods for in vivo lung and blood sno repletion | 2020-04-23 |
| JP-2021165023-A | Laminated product for packaging bag and its manufacturing method | 2020-04-08 |
| JP-6994634-B2 | Laminate for packaging bag and its manufacturing method | 2020-04-08 |
| TW-202138395-A | Curable resin composition, cured film and display device | 2020-03-31 |
| TW-202138539-A | Curable resin composition, cured film and display device | 2020-03-31 |
| US-2021290241-A1 | Microstructured hemostat | 2020-03-18 |
| WO-2021188559-A1 | Microstructured hemostat | 2020-03-18 |
| JP-2021138856-A | Overcoat and printed matter | 2020-03-06 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 20127917 | 2010-03-01 | Single-step separation of bioactive flavonol glucosides from Osteomeles schwerinae by high-speed counter-current chromatography | Journal of separation science |
| 19670875 | 2009-08-01 | Inhibitors of aldose reductase and formation of advanced glycation end-products in moutan cortex (Paeonia suffruticosa) | Journal of natural products |
| 18774787 | 2008-10-09 | Calorimetric and computational thermochemical study of 3,3-tetramethyleneglutaric acid, 3,3-tetramethyleneglutaric anhydride, and 3,3-tetramethyleneglutarimide | The journal of physical chemistry. A |
