α-Cyano-2,4-difluorocinnamic Acid - CAS 953905-51-6
Catalog: |
BB062594 |
Product Name: |
α-Cyano-2,4-difluorocinnamic Acid |
CAS: |
953905-51-6 |
Synonyms: |
2-Cyano-3-(2,4-difluorophenyl)-2-propenoic Acid |
IUPAC Name: | (E)-2-cyano-3-(2,4-difluorophenyl)prop-2-enoic acid |
Description: | α-Cyano-2,4-difluorocinnamic Acid was investigated as a matrix along with several peptides as analytes for UV-MALDI mass spectrometry. |
Molecular Weight: | 209.15 |
Molecular Formula: | C10H5F2NO2 |
Canonical SMILES: | C1=CC(=C(C=C1F)F)C=C(C#N)C(=O)O |
InChI: | InChI=1S/C10H5F2NO2/c11-8-2-1-6(9(12)4-8)3-7(5-13)10(14)15/h1-4H,(H,14,15)/b7-3+ |
InChI Key: | UQLFCBBYHQBVQY-XVNBXDOJSA-N |
Melting Point: | >200o C (dec.) |
Solubility: | DMSO (Slightly), Methanol (Slightly) |
Appearance: | Pale Yellow Solid |
Storage: | Amber Vial, Refrigerator, Under inert atmosphere |
References: | Soltwisch, J., et al. J. Am. Soc. Mass Spectrom., 24, 1477 (2013).. |
GHS Hazard Statement: | H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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AU-2019418584-A1 | Compositions and methods for modulating hair growth | 20190102 |
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CA-3067746-A1 | Compositions and methods for modulating hair growth | 20170630 |
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Complexity: | 332 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 209.02883473 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.02883473 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 61.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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