4-Hydroxybenzaldehyde - CAS 123-08-0
Catalog: |
BB005626 |
Product Name: |
4-Hydroxybenzaldehyde |
CAS: |
123-08-0 |
Synonyms: |
4-hydroxybenzaldehyde |
Application: |
antiepileptic and anticonvulsive activity |
IUPAC Name: | 4-hydroxybenzaldehyde |
Description: | 4-Hydroxybenzaldehyde comes from the herb of Gastrodia elata Blume, it shows an inhibitory effect on the GABA transaminase, and its inhibitory activity was higher than that of valproic acid, a known anticonvulsant. |
Molecular Weight: | 122.12 |
Molecular Formula: | C7H6O2 |
Canonical SMILES: | C1=CC(=CC=C1C=O)O |
InChI: | InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H |
InChI Key: | RGHHSNMVTDWUBI-UHFFFAOYSA-N |
Boiling Point: | 246.6 °C at 760 mmHg |
Melting Point: | 114-118°C |
Flash Point: | 101.3°C |
Purity: | 98 % |
Density: | 1.129 g/cm3 |
Appearance: | Powder |
Storage: | Store at 2-8°C |
MDL: | MFCD00006939 |
LogP: | 1.20470 |
Quality Standard: | Enterprise Standard |
Refractive Index: | 1.57055 (130°C) |
Stability: | Stable at room temperature in closed containers under normal storage and handling conditions. |
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PMID | Publication Date | Title | Journal |
23266278 | 20130213 | Antimicrobial compounds from Alpinia conchigera | Journal of ethnopharmacology |
23122070 | 20130115 | Syzygium aqueum leaf extract and its bioactive compounds enhances pre-adipocyte differentiation and 2-NBDG uptake in 3T3-L1 cells | Food chemistry |
22864173 | 20121001 | Effects of lignin-derived phenolic compounds on xylitol production and key enzyme activities by a xylose utilizing yeast Candida athensensis SB18 | Bioresource technology |
22873756 | 20120904 | The catalytic mechanism of the hotdog-fold enzyme superfamily 4-hydroxybenzoyl-CoA thioesterase from Arthrobacter sp. strain SU | Biochemistry |
22898957 | 20120901 | Valence structures of aromatic bioactive compounds: a combined theoretical and experimental study | Journal of synchrotron radiation |
Complexity: | 93.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 122.03677943 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 122.03677943 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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