Methyl 2,2-Dimethylacetoacetate - CAS 38923-57-8
Catalog: |
BB023797 |
Product Name: |
Methyl 2,2-Dimethylacetoacetate |
CAS: |
38923-57-8 |
Synonyms: |
2,2-dimethyl-3-oxobutanoic acid methyl ester; methyl 2,2-dimethyl-3-oxobutanoate |
IUPAC Name: | methyl 2,2-dimethyl-3-oxobutanoate |
Description: | Methyl 2,2-Dimethylacetoacetate (CAS# 38923-57-8) is a useful research chemical. |
Molecular Weight: | 144.17 |
Molecular Formula: | C7H12O3 |
Canonical SMILES: | CC(=O)C(C)(C)C(=O)OC |
InChI: | InChI=1S/C7H12O3/c1-5(8)7(2,3)6(9)10-4/h1-4H3 |
InChI Key: | LVSDLZIEHYYLTC-UHFFFAOYSA-N |
Boiling Point: | 169 °C at 760 mmHg |
Density: | 0.999 g/cm3 |
MDL: | MFCD00026232 |
LogP: | 0.77460 |
GHS Hazard Statement: | H227 (100%): Combustible liquid [Warning Flammable liquids] |
Precautionary Statement: | P210, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111995522-A | Synthetic method of pirimicarb intermediate 2-methyl acetoacetate | 20200817 |
EP-3492454-A1 | Compounds | 20171130 |
WO-2019106156-A1 | Compounds | 20171130 |
EP-3717459-A1 | Compounds | 20171130 |
US-2021002269-A1 | Compounds | 20171130 |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 144.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 144.078644241 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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