Ethyl 2-acetamido-3-oxobutanoate - CAS 5431-93-6
Catalog: |
BB065918 |
Product Name: |
Ethyl 2-acetamido-3-oxobutanoate |
CAS: |
5431-93-6 |
Synonyms: |
ethyl 2-acetamido-3-oxobutanoate; ethyl 2-(acetylamino)-3-oxobutanoate; 2-Acetylamino-3-oxo-butyric acid ethyl ester; ethyl 2-acetamidoacetoacetate; ethyl2-acetamido-3-oxobutanoate |
IUPAC Name: | ethyl 2-acetamido-3-oxobutanoate |
Molecular Weight: | 187.19 |
Molecular Formula: | C8H13NO4 |
Canonical SMILES: | CCOC(=O)C(C(=O)C)NC(=O)C |
InChI: | InChI=1S/C8H13NO4/c1-4-13-8(12)7(5(2)10)9-6(3)11/h7H,4H2,1-3H3,(H,9,11) |
InChI Key: | YUXXFBQECDBUIB-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/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 |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.0844579 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.0844579 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 72.5Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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