Phenylglyoxal monohydrate - CAS 1074-12-0
Catalog: |
BB002074 |
Product Name: |
Phenylglyoxal monohydrate |
CAS: |
1074-12-0 |
Synonyms: |
2-oxo-2-phenylacetaldehyde |
IUPAC Name: | 2-oxo-2-phenylacetaldehyde |
Description: | Phenylglyoxal monohydrate (CAS# 1074-12-0) is a useful research chemical. |
Molecular Weight: | 152.15 |
Molecular Formula: | C8H6O2 |
Canonical SMILES: | C1=CC=C(C=C1)C(=O)C=O |
InChI: | InChI=1S/C8H6O2/c9-6-8(10)7-4-2-1-3-5-7/h1-6H |
InChI Key: | OJUGVDODNPJEEC-UHFFFAOYSA-N |
Boiling Point: | 142 °C / 125 mmHg |
Melting Point: | -76 °C |
Purity: | 95 % |
Density: | 1.133 g/cm3 |
Appearance: | White to light yellow powder |
MDL: | MFCD00149499 |
LogP: | 1.06820 |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
30926317 | 20190525 | Rabbit dehydrogenase/reductase SDR family member 11 (DHRS11): Its identity with acetohexamide reductase with broad substrate specificity and inhibitor sensitivity, different from human DHRS11 | Chemico-biological interactions |
23030787 | 20121017 | Seeing citrulline: development of a phenylglyoxal-based probe to visualize protein citrullination | Journal of the American Chemical Society |
22887755 | 20121001 | Development of a method for the determination of advanced glycation end products precursors by liquid chromatography and its application in human urine samples | Journal of separation science |
22456902 | 20120701 | Biotransformation of isonitrosoacetophenone (2-keto-2-phenyl-acetaldoxime) in tobacco cell suspensions | Biotechnology letters |
22625876 | 20120601 | Effect of moisture, lipids, and select amino acid blocking agents on the formation and stability of metastable radicals in powdered soy proteins | Journal of food science |
Complexity: | 134 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 134.036779430 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 134.036779430 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 34.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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