2-Hydroxy-3-methylbenzaldehyde - CAS 824-42-0
Catalog: |
BB036824 |
Product Name: |
2-Hydroxy-3-methylbenzaldehyde |
CAS: |
824-42-0 |
Synonyms: |
2-hydroxy-3-methylbenzaldehyde |
IUPAC Name: | 2-hydroxy-3-methylbenzaldehyde |
Description: | 2-Hydroxy-3-methylbenzaldehyde could be a useful antitumor and antiproliferative agent. |
Molecular Weight: | 136.15 |
Molecular Formula: | C8H8O2 |
Canonical SMILES: | CC1=CC=CC(=C1O)C=O |
InChI: | InChI=1S/C8H8O2/c1-6-3-2-4-7(5-9)8(6)10/h2-5,10H,1H3 |
InChI Key: | IPPQNXSAJZOTJZ-UHFFFAOYSA-N |
Boiling Point: | 207.9 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.123 g/cm3 |
Appearance: | Colorless to yellow liquid |
MDL: | MFCD00040798 |
LogP: | 1.51310 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113461637-A | Fluorescence probe based on benzothiazole fluorophore and application of fluorescence probe in hypochlorous acid detection | 20210810 |
CN-113461841-A | Heat-resistant PVB resin and preparation method thereof | 20210702 |
CN-112110922-A | Purine matrix-based aluminum ion detection fluorescent probe and preparation method and application thereof | 20200828 |
US-11155547-B1 | Compounds for and methods of treating diseases | 20200618 |
CN-111662264-A | Synthetic method of coumarin derivative | 20200515 |
PMID | Publication Date | Title | Journal |
22590294 | 20120501 | 2-Amino-3-[(E)-(2-hy-droxy-3-methyl-benzyl-idene)amino]-but-2-ene-dinitrile | Acta crystallographica. Section E, Structure reports online |
22090846 | 20110801 | [2-(1H-Benzimidazol-2-yl-κN)aniline-κN]dichloridozinc | Acta crystallographica. Section E, Structure reports online |
21222144 | 20110701 | Synthesis, crystal structure and luminescent properties of some Zn(II) Schiff base complexes: experimental and computational study | Journal of fluorescence |
21589143 | 20101030 | 2-[(2-Bromo-phen-yl)imino-meth-yl]-6-methyl-phenol | Acta crystallographica. Section E, Structure reports online |
21588779 | 20100828 | 2-[(E)-(2-Chloro-phen-yl)imino-meth-yl]-6-methyl-phenol | Acta crystallographica. Section E, Structure reports online |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 136.052429494 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 136.052429494 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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