4-Hydroxy-4-methylpent-2-ynoic acid - CAS 50624-25-4
Catalog: |
BB027145 |
Product Name: |
4-Hydroxy-4-methylpent-2-ynoic acid |
CAS: |
50624-25-4 |
Synonyms: |
4-hydroxy-4-methylpent-2-ynoic acid |
IUPAC Name: | 4-hydroxy-4-methylpent-2-ynoic acid |
Description: | 4-Hydroxy-4-methylpent-2-ynoic acid (CAS# 50624-25-4) is a useful research chemical. |
Molecular Weight: | 128.13 |
Molecular Formula: | C6H8O3 |
Canonical SMILES: | CC(C)(C#CC(=O)O)O |
InChI: | InChI=1S/C6H8O3/c1-6(2,9)4-3-5(7)8/h9H,1-2H3,(H,7,8) |
InChI Key: | SSMODACYDJLXEK-UHFFFAOYSA-N |
Boiling Point: | 275.8 °C at 760 mmHg |
Density: | 1.243 g/cm3 |
MDL: | MFCD05863690 |
LogP: | -0.15470 |
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 |
WO-2015066413-A1 | Oxazolidinone hydroxamic acid compounds for the treatment of bacterial infections | 20131101 |
AU-2014291161-A1 | Antitumor drug for intermittent administration of FGFR inhibitor | 20130718 |
AU-2014291161-B2 | Antitumor drug for intermittent administration of FGFR inhibitor | 20130718 |
EP-3023100-A1 | Antitumor drug for intermittent administration of fgfr inhibitor | 20130718 |
EP-3023100-B1 | Antitumor drug for intermittent administration of fgfr inhibitor | 20130718 |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 128.047344113 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 128.047344113 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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