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关于此项目
线性分子式:
C6H5COC6H4CH(CH3)CO2H
化学文摘社编号:
分子量:
254.28
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352115
MDL number:
eCl@ss:
32160701
Assay:
99%
Quality Segment
assay
99%
optical activity
[α]22/D +49°, c = 1 in methanol
reaction suitability
reagent type: chrial catalyst
mp
75-78 °C (lit.)
functional group
carboxylic acid, ketone, phenyl
SMILES string
C[C@H](C(O)=O)c1cccc(c1)C(=O)c2ccccc2
InChI
1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m0/s1
InChI key
DKYWVDODHFEZIM-NSHDSACASA-N
Gene Information
human ... IL8RA(3577), PTGS1(5742), PTGS2(5743)
mouse ... Ptgs2(19225)
警示词
Danger
Hazard Classifications
Acute Tox. 3 Oral - Aquatic Acute 1 - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
靶器官
Respiratory system
存储类别
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
WGK
WGK 3
闪点 (F)
Not applicable
闪点 (°C)
Not applicable
PPE(个人防护设备)
dust mask type N95 (US), Eyeshields, Faceshields, Gloves

