Methyl 2-oxo-1-cycloheptanecarboxylate - CAS 52784-32-4
Catalog: |
BB027947 |
Product Name: |
Methyl 2-oxo-1-cycloheptanecarboxylate |
CAS: |
52784-32-4 |
Synonyms: |
methyl 2-oxocycloheptane-1-carboxylate |
IUPAC Name: | methyl 2-oxocycloheptane-1-carboxylate |
Description: | Methyl 2-oxo-1-cycloheptanecarboxylate (CAS# 52784-32-4) is a useful research chemical. |
Molecular Weight: | 170.21 |
Molecular Formula: | C9H14O3 |
Canonical SMILES: | COC(=O)C1CCCCCC1=O |
InChI: | InChI=1S/C9H14O3/c1-12-9(11)7-5-3-2-4-6-8(7)10/h7H,2-6H2,1H3 |
InChI Key: | BLNHITXSJKCQGZ-UHFFFAOYSA-N |
Boiling Point: | 112-114 °C10 mmHg (lit.) |
Purity: | 95 % |
Density: | 1.09 g/cm3 |
Appearance: | Colorless liquid |
MDL: | MFCD00010809 |
LogP: | 1.30880 |
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-2019241851-A1 | Inhibitors of lysine biosynthesis via the diaminopimelate pathway | 20180622 |
US-2019359641-A1 | Chiral solvating agents | 20180524 |
US-11008354-B2 | Chiral solvating agents | 20180524 |
BR-102017026445-A2 | compound, formulation and fragrance product, and methods for enhancing, enhancing or modifying a fragrance formulation and for neutralizing an unpleasant odor in an airspace or substrate | 20161220 |
EP-3339278-A1 | Novel organoleptic compounds | 20161220 |
PMID | Publication Date | Title | Journal |
21990014 | 20111104 | Structure-activity relationship for the first-in-class clinical steroid sulfatase inhibitor Irosustat (STX64, BN83495) | ChemMedChem |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.094294304 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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