(S)-3-(3-Fluorophenyl)-2-hydroxypropionic Acid - CAS 159415-52-8
Catalog: |
BB011533 |
Product Name: |
(S)-3-(3-Fluorophenyl)-2-hydroxypropionic Acid |
CAS: |
159415-52-8 |
Synonyms: |
(2S)-3-(3-fluorophenyl)-2-hydroxypropanoic acid; (2S)-3-(3-fluorophenyl)-2-hydroxypropanoic acid |
IUPAC Name: | (2S)-3-(3-fluorophenyl)-2-hydroxypropanoic acid |
Description: | (S)-3-(3-Fluorophenyl)-2-hydroxypropionic Acid (CAS# 159415-52-8) is a useful research chemical. |
Molecular Weight: | 184.16 |
Molecular Formula: | C9H9FO3 |
Canonical SMILES: | C1=CC(=CC(=C1)F)CC(C(=O)O)O |
InChI: | InChI=1S/C9H9FO3/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8,11H,5H2,(H,12,13)/t8-/m0/s1 |
InChI Key: | QPMLOIAOWWYEMI-QMMMGPOBSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2011312879-A1 | Template-fixed beta-hairpin peptidomimetics with cxcr4 antagonizing activity | 20081126 |
US-8883720-B2 | Template-fixed beta-hairpin peptidomimetics with CXCR4 antagonizing activity | 20081126 |
WO-2010060479-A1 | Template-fixed beta-hairpin peptidomimetics with cxcr4 antagonizing activity | 20081126 |
US-2010273659-A1 | Nitrilases, Nucleic Acids Encoding Them and Methods for Making and Using Them | 20070301 |
US-9217164-B2 | Nitrilases, nucleic acids encoding them and methods for making and using them | 20070301 |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.05357231 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.05357231 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 57.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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