2-Ethylbut-2-enoic acid - CAS 4411-99-8
Catalog: |
BB055183 |
Product Name: |
2-Ethylbut-2-enoic acid |
CAS: |
4411-99-8 |
Synonyms: |
2-ethylbut-2-enoic acid; Methylathylakrylsaure |
IUPAC Name: | 2-ethylbut-2-enoic acid |
Molecular Weight: | 114.14 |
Molecular Formula: | C6H10O2 |
Canonical SMILES: | CCC(=CC)C(=O)O |
InChI: | InChI=1S/C6H10O2/c1-3-5(4-2)6(7)8/h3H,4H2,1-2H3,(H,7,8) |
InChI Key: | KFSQJVOLYQRELE-UHFFFAOYSA-N |
Complexity: | 114 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 114.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 114.068079557 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 1 |
XLogP3: | 1.4 |
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