Methyl Butyrylacetate - CAS 30414-54-1
Catalog: |
BB020587 |
Product Name: |
Methyl Butyrylacetate |
CAS: |
30414-54-1 |
Synonyms: |
3-oxohexanoic acid methyl ester; methyl 3-oxohexanoate |
IUPAC Name: | methyl 3-oxohexanoate |
Description: | Methyl Butyrylacetate (CAS# 30414-54-1) is a useful research chemical. |
Molecular Weight: | 144.17 |
Molecular Formula: | C7H12O3 |
Canonical SMILES: | CCCC(=O)CC(=O)OC |
InChI: | InChI=1S/C7H12O3/c1-3-4-6(8)5-7(9)10-2/h3-5H2,1-2H3 |
InChI Key: | SJPCQNABHNCLPB-UHFFFAOYSA-N |
Boiling Point: | 85-88 °C |
Density: | 1.017 g/cm3 |
MDL: | MFCD00040995 |
LogP: | 0.91870 |
GHS Hazard Statement: | H227 (50%): 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 |
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Complexity: | 129 |
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: | 5 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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