Monoethyl Pimelate - CAS 33018-91-6
Catalog: |
BB021524 |
Product Name: |
Monoethyl Pimelate |
CAS: |
33018-91-6 |
Synonyms: |
7-ethoxy-7-oxoheptanoic acid; 7-ethoxy-7-oxoheptanoic acid |
IUPAC Name: | 7-ethoxy-7-oxoheptanoic acid |
Description: | Monoethyl Pimelate (CAS# 33018-91-6) is a useful research chemical. |
Molecular Weight: | 188.22 |
Molecular Formula: | C9H16O4 |
Canonical SMILES: | CCOC(=O)CCCCCC(=O)O |
InChI: | InChI=1S/C9H16O4/c1-2-13-9(12)7-5-3-4-6-8(10)11/h2-7H2,1H3,(H,10,11) |
InChI Key: | NQYXFXWKKYGBNL-UHFFFAOYSA-N |
Boiling Point: | 135-138 °C / 1 mmHg |
Density: | 1.074 g/cm3 |
Appearance: | Liquid |
Storage: | Pure form, -20°C, 3 years; 4°C, 2 years; In solvent, -80°C, 6 months; -20°C, 1 month |
LogP: | 1.58460 |
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-2021127460-A1 | Pcsk9 antagonist compounds | 20191220 |
WO-2021095876-A1 | Lipid composition | 20191115 |
WO-2021066873-A1 | Condensed heterocycles as bcl-2 inhibitors | 20191003 |
WO-2020246581-A1 | Lipid composition | 20190607 |
WO-2019235635-A1 | Compound, salt thereof and lipid particles | 20180608 |
Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.10485899 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.10485899 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 63.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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