Ethyl 2-Ethylideneacetoacetate - CAS 15301-37-8
Catalog: |
BB066120 |
Product Name: |
Ethyl 2-Ethylideneacetoacetate |
CAS: |
15301-37-8 |
Synonyms: |
ETHYL 2-ACETYLBUT-2-ENOATE; ethyl 2-acetyl-2-butenoate; 3-carbethoxy-3-penten-2-one |
IUPAC Name: | ethyl 2-acetylbut-2-enoate |
Molecular Weight: | 156.18 |
Molecular Formula: | C8H12O3 |
Canonical SMILES: | CCOC(=O)C(=CC)C(=O)C |
InChI: | InChI=1S/C8H12O3/c1-4-7(6(3)9)8(10)11-5-2/h4H,5H2,1-3H3 |
InChI Key: | IYFLZFKSDCNELJ-UHFFFAOYSA-N |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.078644241 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 43.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 1 |
XLogP3: | 0.9 |
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