Methyl 1,4-Dioxaspiro[4.5]decane-8-carboxylate - CAS 26845-47-6
Catalog: |
BB043926 |
Product Name: |
Methyl 1,4-Dioxaspiro[4.5]decane-8-carboxylate |
CAS: |
26845-47-6 |
Synonyms: |
1,4-Dioxaspiro[4.5]decane-8-carboxylic Acid Methyl Ester; |
Application: |
A reagnet used in the preparation of pharmaceutical compounds such as high affinity H3 receptor agonists and reverse hydroxamate-based selective TACE inhibitors. |
IUPAC Name: | methyl 1,4-dioxaspiro[4.5]decane-8-carboxylate |
Description: | A reagnet used in the preparation of pharmaceutical compounds such as high affinity H3 receptor agonists and reverse hydroxamate-based selective TACE inhibitors. |
Molecular Weight: | 200.23 |
Molecular Formula: | C10H16O4 |
Canonical SMILES: | COC(=O)C1CCC2(CC1)OCCO2 |
InChI: | InChI=1S/C10H16O4/c1-12-9(11)8-2-4-10(5-3-8)13-6-7-14-10/h8H,2-7H2,1H3 |
InChI Key: | XUTIURCKMWHHLX-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.10485899 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.10485899 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 44.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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