4-Chloro-2-butenoic Acid - CAS 16197-90-3
Catalog: |
BB070392 |
Product Name: |
4-Chloro-2-butenoic Acid |
CAS: |
16197-90-3 |
Synonyms: |
y-Chlorocrotonic Acid |
IUPAC Name: | (E)-4-chlorobut-2-enoic acid |
Description: | 4-Chloro-2-butenoic Acid is used in the organic synthesis of more complex compounds. |
Molecular Weight: | 120.53 |
Molecular Formula: | C4H5ClO2 |
Canonical SMILES: | C(C=CC(=O)O)Cl |
InChI: | InChI=1S/C4H5ClO2/c5-3-1-2-4(6)7/h1-2H,3H2,(H,6,7)/b2-1+ |
InChI Key: | TVOMCUWVZVBDBG-OWOJBTEDSA-N |
References: | Braconaro, Francis J. Mendel Bulletin, 13-18 (1967). |
Complexity: | 87.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 119.9978071 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 119.9978071 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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