59930
异香兰醛
purum, ≥98.0% (HPLC), faintly brown to slightly brown
别名:
3-羟基-4-甲氧基苯甲醛, 3-羟基茴香醛
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关于此项目
经验公式（希尔记法）:
C8H8O3
化学文摘社编号:
分子量:
152.15
EC Number:
210-694-9
UNSPSC Code:
12352100
MDL number:
Beilstein/REAXYS Number:
1073021
grade
purum
assay
≥98.0% (HPLC)
color
faintly brown to slightly brown
mp
113-116 °C
SMILES string
COc1ccc(C=O)cc1O
InChI
1S/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H3
InChI key
JVTZFYYHCGSXJV-UHFFFAOYSA-N
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
>212.0 °F
flash_point_c
> 100 °C
ppe
dust mask type N95 (US), Eyeshields, Gloves
法规信息
新产品
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A number of vanilloids have been tested as tyrosinase inhibitors using Ligand-Based Virtual Screening (LBVS) driven by QSAR (Quantitative Structure-Activity Relationship) models as the multi-agent classification system. A total of 81 models were used to screen this family. Then, a
S E Clarke et al.
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Georgios I Panoutsopoulos
Cellular physiology and biochemistry : international journal of experimental cellular physiology, biochemistry, and pharmacology, 17(1-2), 47-56 (2006-03-18)
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Georgios Panoutsopoulos
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V Balachandran et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 95, 354-368 (2012-05-01)
This study is a comparative analysis of FT-IR and FT-Raman spectra of vanillin (3-methoxy-4-hydroxybenzaldehyde) and isovanillin (3-hydroxy-4-methoxybenzaldehyde). The molecular structure, vibrational wavenumbers, infrared intensities, Raman scattering activities were calculated for both molecules using the B3LYP density functional theory (DFT) with
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