4-Hydroxy-3-methylbenzaldehyde - CAS 15174-69-3
Catalog: |
BB010709 |
Product Name: |
4-Hydroxy-3-methylbenzaldehyde |
CAS: |
15174-69-3 |
Synonyms: |
4-hydroxy-3-methylbenzaldehyde |
IUPAC Name: | 4-hydroxy-3-methylbenzaldehyde |
Description: | 4-Hydroxy-3-methylbenzaldehyde was used in the preparation of a new series of benzothiazole schiff bases which display antitumor activity against cervical cancer. Also used in the synthesis of novel pyrimidine derivatives which possess antibacterial properties against gram-positive and gram-negative bacteria. |
Molecular Weight: | 136.15 |
Molecular Formula: | C8H8O2 |
Canonical SMILES: | CC1=C(C=CC(=C1)C=O)O |
InChI: | InChI=1S/C8H8O2/c1-6-4-7(5-9)2-3-8(6)10/h2-5,10H,1H3 |
InChI Key: | BAKYASSDAXQKKY-UHFFFAOYSA-N |
Boiling Point: | 250.5 °C at 760 mmHg |
Density: | 1.175 g/cm3 |
MDL: | MFCD00012360 |
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 |
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PMID | Publication Date | Title | Journal |
23736872 | 20140201 | The catabolism of 2,4-xylenol and p-cresol share the enzymes for the oxidation of para-methyl group in Pseudomonas putida NCIMB 9866 | Applied microbiology and biotechnology |
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: | 0.8 |
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