4-Cyclopropyl-4-oxobutyric acid - CAS 53712-75-7
Catalog: |
BB028335 |
Product Name: |
4-Cyclopropyl-4-oxobutyric acid |
CAS: |
53712-75-7 |
Synonyms: |
4-cyclopropyl-4-oxobutanoic acid |
IUPAC Name: | 4-cyclopropyl-4-oxobutanoic acid |
Description: | 4-Cyclopropyl-4-oxobutyric acid (CAS# 53712-75-7) is a useful research chemical compound. |
Molecular Weight: | 142.15 |
Molecular Formula: | C7H10O3 |
Canonical SMILES: | C1CC1C(=O)CCC(=O)O |
InChI: | InChI=1S/C7H10O3/c8-6(5-1-2-5)3-4-7(9)10/h5H,1-4H2,(H,9,10) |
InChI Key: | ISZLFKWEBSKHTO-UHFFFAOYSA-N |
Boiling Point: | 296.2 °C at 760 mmHg |
Density: | 1.267 g/cm3 |
Appearance: | Light yellow solid |
MDL: | MFCD01320151 |
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 |
WO-2020077140-A1 | Processes for preparing functionalized cyclooctenes | 20181010 |
CN-113473975-A | Process for preparing functionalized cyclooctenes | 20181010 |
EP-3863612-A1 | Processes for preparing functionalized cyclooctenes | 20181010 |
US-2021289794-A1 | Compositions and related methods for agriculture | 20180725 |
AU-2018250312-A1 | Bioorthogonal compositions | 20170407 |
Complexity: | 158 |
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: | 4 |
Topological Polar Surface Area: | 54.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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