4-Methoxy-3,3-dimethyl-4-oxobutanoic Acid - CAS 32980-26-0
Catalog: |
BB021505 |
Product Name: |
4-Methoxy-3,3-dimethyl-4-oxobutanoic Acid |
CAS: |
32980-26-0 |
Synonyms: |
4-methoxy-3,3-dimethyl-4-oxobutanoic acid; 4-methoxy-3,3-dimethyl-4-oxobutanoic acid |
IUPAC Name: | 4-methoxy-3,3-dimethyl-4-oxobutanoic acid |
Description: | Used in the preparation of peptide amide as renin inhibitors. |
Molecular Weight: | 160.17 |
Molecular Formula: | C7H12O4 |
Canonical SMILES: | CC(C)(CC(=O)O)C(=O)OC |
InChI: | InChI=1S/C7H12O4/c1-7(2,4-5(8)9)6(10)11-3/h4H2,1-3H3,(H,8,9) |
InChI Key: | NENLLFGJFVVZEU-UHFFFAOYSA-N |
Boiling Point: | 256 °C |
Density: | 1.126 g/cm3 |
LogP: | 0.66030 |
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 |
Publication Number | Title | Priority Date |
WO-2021018237-A1 | Dihydropyrimidine derivatives and uses thereof in the treatment of hbv infection or of hbv-induced diseases | 20190731 |
JP-2020128368-A | Medicine containing an azole-substituted pyridine compound as an active ingredient | 20190208 |
WO-2020003119-A1 | Compounds and methods for treatment of hedgehog pathway associated conditions | 20180625 |
AU-2019294083-A1 | Compounds and methods for treatment of hedgehog pathway associated conditions | 20180625 |
EP-3810573-A1 | Compounds and methods for treatment of hedgehog pathway associated conditions | 20180625 |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.07355886 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 63.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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