2-Oxocyclopentaneacetic acid - CAS 1460-38-4
Catalog: |
BB010032 |
Product Name: |
2-Oxocyclopentaneacetic acid |
CAS: |
1460-38-4 |
Synonyms: |
2-(2-oxocyclopentyl)acetic acid |
IUPAC Name: | 2-(2-oxocyclopentyl)acetic acid |
Description: | 2-Oxocyclopentaneacetic acid (CAS# 1460-38-4) is a useful research chemical. |
Molecular Weight: | 142.15 |
Molecular Formula: | C7H10O3 |
Canonical SMILES: | C1CC(C(=O)C1)CC(=O)O |
InChI: | InChI=1S/C7H10O3/c8-6-3-1-2-5(6)4-7(9)10/h5H,1-4H2,(H,9,10) |
InChI Key: | OLLLIBGOZUPLOK-UHFFFAOYSA-N |
Boiling Point: | 316.5 °C at 760 mmHg |
Melting Point: | 47-51 °C (lit.) |
Purity: | 95 % |
Density: | 1.21 g/cm3 |
Appearance: | White to tan powder or crystals |
MDL: | MFCD02093672 |
LogP: | 0.83030 |
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 |
CN-111253246-A | Acyl acid derivative and preparation method and medical application thereof | 20200316 |
EP-3626201-A1 | 3d-printed orthodontic dental splint made of cross-linked polymers | 20180920 |
WO-2020058311-A1 | 3d-printed orthodontic splint made of crosslinked polymers | 20180920 |
US-2021289794-A1 | Compositions and related methods for agriculture | 20180725 |
CN-109809990-A | A method of 2- oxocyclopentyl ethyl acetate is prepared by esterification | 20171119 |
PMID | Publication Date | Title | Journal |
21582637 | 20090330 | (±)-2-Oxocyclo-penta-neacetic acid: catemeric hydrogen bonding in a γ-keto acid | Acta crystallographica. Section E, Structure reports online |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 142.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.062994177 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 54.4 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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