(E)-3-Chloro-4-hydroxycinnamic Acid - CAS 1266249-44-8
Catalog: |
BB055635 |
Product Name: |
(E)-3-Chloro-4-hydroxycinnamic Acid |
CAS: |
1266249-44-8 |
Synonyms: |
Methyl 3-(3-chloro-4-hydroxyphenyl)acrylate; methyl (E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enoate; 3-Chloro-4-hydroxycinnamic acid methyl ester |
IUPAC Name: | methyl (E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enoate |
Description: | (E)-3-Chloro-4-hydroxycinnamic Acid is a chemical reagent used in the synthesis of quinolines. |
Molecular Weight: | 198.6 |
Molecular Formula: | C9H7ClO3 |
Canonical SMILES: | COC(=O)C=CC1=CC(=C(C=C1)O)Cl |
InChI: | InChI=1S/C10H9ClO3/c1-14-10(13)5-3-7-2-4-9(12)8(11)6-7/h2-6,12H,1H3/b5-3+ |
InChI Key: | BZHVHNVZOHIELV-HWKANZROSA-N |
Melting Point: | 182 - 183°C |
Solubility: | DMSO (Slightly), Methanol (Slightly) |
Appearance: | White to Off-White Solid |
Storage: | Refrigerator, under inert atmosphere |
References: | Jarrige, L. et al. Synlett., 28, 1724 (2017). |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 212.0240218 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.0240218 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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