Mucobromic acid - CAS 488-11-9
Catalog: |
BB026597 |
Product Name: |
Mucobromic acid |
CAS: |
488-11-9 |
Synonyms: |
(Z)-2,3-dibromo-4-oxobut-2-enoic acid |
IUPAC Name: | (Z)-2,3-dibromo-4-oxobut-2-enoic acid |
Description: | Mucobromic acid (CAS# 488-11-9) is a useful research chemical compound. |
Molecular Weight: | 257.86 |
Molecular Formula: | C4H2Br2O3 |
Canonical SMILES: | C(=O)C(=C(C(=O)O)Br)Br |
InChI: | InChI=1S/C4H2Br2O3/c5-2(1-7)3(6)4(8)9/h1H,(H,8,9)/b3-2- |
InChI Key: | NCNYEGJDGNOYJX-IHWYPQMZSA-N |
Boiling Point: | 321.8 °C at 760 mmHg |
Density: | 2.43 g/cm3 |
MDL: | MFCD00063745 |
LogP: | 1.27130 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-3472166-A1 | Imidazopyrimidine compounds useful for the treatment of cancer | 20160620 |
JP-2019524872-A | Imidazopyrimidine compounds useful for the treatment of cancer | 20160620 |
US-10676479-B2 | Imidazolepyridine compounds and uses thereof | 20160620 |
US-2019233426-A1 | Imidazolepyridine compounds and uses thereof | 20160620 |
WO-2017221100-A1 | Imidazopyrimidine compounds useful for the treatment of cancer | 20160620 |
PMID | Publication Date | Title | Journal |
23025464 | 20121024 | Synthesis of rubrolide analogues as new inhibitors of the photosynthetic electron transport chain | Journal of agricultural and food chemistry |
21561708 | 20110615 | Mutagenic analysis of six disinfection by-products in the Tk gene of mouse lymphoma cells | Journal of hazardous materials |
20855100 | 20110101 | Reactivity of mucohalic acids in water | Water research |
19326461 | 20090601 | Genotoxicity analysis of two hydroxyfuranones, byproducts of water disinfection, in human cells treated in vitro | Environmental and molecular mutagenesis |
16018682 | 20050722 | Efficient synthesis of novel gamma-substituted gamma-butenolides by Lewis acid catalyzed addition of metal enolates of active methylene compounds to mucohalic acids | The Journal of organic chemistry |
Complexity: | 173 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 257.83502 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.83707 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 54.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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