Monomethyl Sebacate - CAS 818-88-2
Catalog: |
BB036725 |
Product Name: |
Monomethyl Sebacate |
CAS: |
818-88-2 |
Synonyms: |
10-methoxy-10-oxodecanoic acid; 10-methoxy-10-oxodecanoic acid |
IUPAC Name: | 10-methoxy-10-oxodecanoic acid |
Description: | Monomethyl Sebacate (CAS# 818-88-2) is a useful research chemical. |
Molecular Weight: | 216.27 |
Molecular Formula: | C11H20O4 |
Canonical SMILES: | COC(=O)CCCCCCCCC(=O)O |
InChI: | InChI=1S/C11H20O4/c1-15-11(14)9-7-5-3-2-4-6-8-10(12)13/h2-9H2,1H3,(H,12,13) |
InChI Key: | OSYQOBUUFRGFNG-UHFFFAOYSA-N |
Boiling Point: | 168-170 °C / 3 mmHg (lit.) |
Density: | 1.038 g/cm3 |
Appearance: | White solid |
MDL: | MFCD00004439 |
LogP: | 2.36480 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021127214-A1 | Synthetic processes and intermediates | 20191220 |
WO-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
WO-2021117769-A1 | Pharmaceutical composition and treatment agent | 20191210 |
WO-2021117770-A1 | Pharmaceutical composition and treatment agent | 20191210 |
WO-2021095876-A1 | Lipid composition | 20191115 |
Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.13615911 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.13615911 |
Rotatable Bond Count: | 10 |
Topological Polar Surface Area: | 63.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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