3-Methylene-2-norbornanone - CAS 5597-27-3
Catalog: |
BB029227 |
Product Name: |
3-Methylene-2-norbornanone |
CAS: |
5597-27-3 |
Synonyms: |
3-methylidenebicyclo[2.2.1]heptan-2-one |
IUPAC Name: | 3-methylidenebicyclo[2.2.1]heptan-2-one |
Description: | 3-Methylene-2-norbornanone (CAS# 5597-27-3 ) is a useful research chemical. |
Molecular Weight: | 122.16 |
Molecular Formula: | C8H10O |
Canonical SMILES: | C=C1C2CCC(C2)C1=O |
InChI: | InChI=1S/C8H10O/c1-5-6-2-3-7(4-6)8(5)9/h6-7H,1-4H2 |
InChI Key: | FNOOZJAPZFHNCW-UHFFFAOYSA-N |
Boiling Point: | 69-71 °C / 11 mmHg (lit.) |
Density: | 0.997 g/cm3 |
LogP: | 1.54160 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021168083-A1 | Peptide and protein c-terminus labeling | 20200218 |
WO-2019134070-A1 | Panda as novel therapeutic | 20180102 |
WO-2019134311-A1 | Panda as novel therapeutic | 20180102 |
WO-2019134650-A1 | Mp53 rescue compounds and methods of treating a p53 disorder | 20180102 |
AU-2018399726-A1 | Panda as novel therapeutic | 20180102 |
PMID | Publication Date | Title | Journal |
20661511 | 20100921 | Benzoyl radicals from (hetero)aromatic aldehydes. Decatungstate photocatalyzed synthesis of substituted aromatic ketones | Organic & biomolecular chemistry |
18535716 | 20080621 | Local correlation domains for coupled cluster theory: optical rotation and magnetic-field perturbations | Physical chemistry chemical physics : PCCP |
15482940 | 20041115 | Identification and structure-activity relationship studies of 3-methylene-2-norbornanone as potent anti-proliferative agents presumably working through p53 mediated apoptosis | Bioorganic & medicinal chemistry letters |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 122.073164938 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 122.073164938 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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