Cyclopentanecarboxylic acid - CAS 3400-45-1
Catalog: |
BB021928 |
Product Name: |
Cyclopentanecarboxylic acid |
CAS: |
3400-45-1 |
Synonyms: |
cyclopentanecarboxylic acid |
IUPAC Name: | cyclopentanecarboxylic acid |
Description: | Cyclopentanecarboxylic acid (CAS# 3400-45-1) is an aliphatic cycloalkyl carboxylic acid used in the preparation of amino acids and other biologically active compounds. Cyclopentanecarboxylic Acid was shown to have plant growth regulating activity. |
Molecular Weight: | 114.14 |
Molecular Formula: | C6H10O2 |
Canonical SMILES: | C1CCC(C1)C(=O)O |
InChI: | InChI=1S/C6H10O2/c7-6(8)5-3-1-2-4-5/h5H,1-4H2,(H,7,8) |
InChI Key: | JBDSSBMEKXHSJF-UHFFFAOYSA-N |
Boiling Point: | 216 °C |
Melting Point: | 4 °C |
Flash Point: | 93°C |
Purity: | 98 % |
Density: | 1.053 g/cm3 |
Solubility: | water, 6676 mg/L @ 25 °C (est) |
Appearance: | Clear colorless to yellow liquid |
Storage: | Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area. |
MDL: | MFCD00001371 |
LogP: | 1.26120 |
Refractive Index: | 1.453-1.545 |
Stability: | Stable at room temperature in closed containers under normal storage and handling conditions. |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/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 |
Publication Number | Title | Priority Date |
US-10869845-B1 | Ephedrine compositions and methods | 20200122 |
WO-2021125008-A1 | Resin composition | 20191216 |
WO-2021117762-A1 | Resin composition, resin sheet, multilayer printed wiring board, and semiconductor device | 20191211 |
US-2021174983-A1 | Compositions for the filling of high aspect ratio vertical interconnect access (via) holes | 20191204 |
WO-2021112933-A1 | Compositions for the filling of high aspect ratio vertical interconnect access (via) holes | 20191204 |
PMID | Publication Date | Title | Journal |
20691431 | 20100923 | Synthesis of chitin cycloalkyl ester derivatives and their physical properties | Carbohydrate research |
15186422 | 20040601 | Biosynthesis of the angiogenesis inhibitor borrelidin by Streptomyces parvulus Tü4055: insights into nitrile formation | Molecular microbiology |
13678813 | 20030901 | Unusual reactivity of cytotoxic cis-dihydrazide Pt(II) complexes in aqueous solution | Journal of inorganic biochemistry |
12930146 | 20030828 | Stereospecific synthesis of 5-substituted 2-bisarylthiocyclopentane carboxylic acids as specific matrix metalloproteinase inhibitors | Journal of medicinal chemistry |
11448729 | 20010901 | Influence of virus strain, challenge dose, and time of therapy initiation on the in vivo influenza inhibitory effects of RWJ-270201 | Antiviral research |
Complexity: | 92.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 114.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 114.068079557 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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