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92-48-8 | 6-Methylcoumarin
CAS No: 92-48-8 Catalog No: AG003NAN MDL No:MFCD00006875
Product Description
Catalog Number:
AG003NAN
Chemical Name:
6-Methylcoumarin
CAS Number:
92-48-8
Molecular Formula:
C10H8O2
Molecular Weight:
160.1693
MDL Number:
MFCD00006875
IUPAC Name:
6-methylchromen-2-one
InChI:
InChI=1S/C10H8O2/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2-6H,1H3
InChI Key:
FXFYOPQLGGEACP-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)ccc(=O)o2
EC Number:
202-158-8
UNII:
EHP8W0L01A
NSC Number:
5870
FEMA Number:
2699
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.052g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.172g/mol
Monoisotopic Mass:
160.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| SENS-IS, a 3D reconstituted epidermis based model for quantifying chemical sensitization potency: Reproducibility and predictivity results from an inter-laboratory study. | Toxicology in vitro : an international journal published in association with BIBRA 20160401 |
| Supramolecular photocatalysis: insights into cucurbit[8]uril catalyzed photodimerization of 6-methylcoumarin. | Chemical communications (Cambridge, England) 20110614 |
| Phosphorylation of histone H2AX is a powerful tool for detecting chemical photogenotoxicity. | The Journal of investigative dermatology 20110601 |
| Vibrational and ab initio studies of 3-acetyl-6-bromocoumarin and 3-acetyl-6-methylcoumarin. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20101201 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Supramolecular photocatalysis by confinement--photodimerization of coumarins within cucurbit[8]urils. | Chemical communications (Cambridge, England) 20100114 |
| A novel in vitro method for the detection and characterization of photosensitizers. | PloS one 20100101 |
| Development of an in vitro photosensitization assay using human monocyte-derived cells. | Toxicology in vitro : an international journal published in association with BIBRA 20090801 |
| Aquatic toxicity assessment of the additive 6-methylcoumarine using four experimental systems. | Archives of environmental contamination and toxicology 20090101 |
| Infrared study of 6-methylcoumarin in binary solvent mixtures. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20081115 |
| Simultaneous determination of 6-methylcoumarin and 7-methoxycoumarin in cosmetics using three-dimensional excitation-emission matrix fluorescence coupled with second-order calibration methods. | Talanta 20080615 |
| Induction of keratinocyte apoptosis by photosensitizing chemicals plus UVA. | Journal of dermatological science 20070201 |
| In vitro phototoxicity test using artificial skin with melanocytes. | Photodermatology, photoimmunology & photomedicine 20070101 |
| [Inhibitory effects of Lantana camera and its contained phenolic compounds in Eichhornia crassipes growth]. | Ying yong sheng tai xue bao = The journal of applied ecology 20060901 |
| Causal agents of photoallergic contact dermatitis diagnosed in the national institute of dermatology of Colombia. | Photodermatology, photoimmunology & photomedicine 20060801 |
| Fourier transform-infrared and Raman spectra, ab initio calculations and assignments for 6-methyl-4-bromomethylcoumarin. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20060515 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| Photoallergic contact sensitization to 6-methylcoumarin in poikiloderma of Civatte. | Dermatitis : contact, atopic, occupational, drug 20050901 |
| Complete reduction of 2H-pyran-2-one moiety of coumarin and 6-methyl coumarin by Colletotrichum capsici. | Zeitschrift fur Naturforschung. C, Journal of biosciences 20040101 |
| Selectivity in the photodimerization of 6-alkylcoumarins. | The Journal of organic chemistry 20030919 |
| Acaricidal activity of tonka bean extracts. Synthesis and structure-activity relationships of bioactive derivatives. | Journal of natural products 20030501 |
| Use of human reconstituted epidermis Episkin for assessment of weak phototoxic potential of chemical compounds. | Photodermatology, photoimmunology & photomedicine 20020401 |
| Assessment of the phototoxic potential of compounds and finished topical products using a human reconstructed epidermis. | In vitro & molecular toxicology 20010101 |
| An optimized lymphocyte blastogenesis assay for detecting the response of contact sensitized or photosensitized lymphocytes to hapten or photohapten modified antigen presenting cells. | Toxicology in vitro : an international journal published in association with BIBRA 19900101 |
| Control of mercury pollution. | Journal of toxicology and environmental health 19760101 |
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