12351
(S)-1,4-Benzodioxane-2-carboxylic acid
≥97.0% (sum of enantiomers, GC)
Synonym(s):
(S)-2,3-Dihydro-1,4-benzodioxin-2-carboxylic acid
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About This Item
Empirical Formula (Hill Notation):
C9H8O4
CAS Number:
Molecular Weight:
180.16
Beilstein:
5742836
MDL number:
UNSPSC Code:
12352005
PubChem Substance ID:
NACRES:
NA.22
Assay
≥97.0% (sum of enantiomers, GC)
optical activity
[α]20/D −83±2°, c = 1.5% in chloroform
optical purity
enantiomeric ratio: ≥98.5:1.5
mp
96-99 °C
SMILES string
OC(=O)[C@@H]1COc2ccccc2O1
InChI
1S/C9H8O4/c10-9(11)8-5-12-6-3-1-2-4-7(6)13-8/h1-4,8H,5H2,(H,10,11)/t8-/m0/s1
InChI key
HMBHAQMOBKLWRX-QMMMGPOBSA-N
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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Christian D Young et al.
Molecular & cellular proteomics : MCP, 14(7), 1959-1976 (2015-05-09)
Mutations in PIK3CA, the gene encoding the p110α catalytic subunit of phosphoinositide 3-kinase (PI3K) have been shown to transform human mammary epithelial cells (MECs). These mutations are present in all breast cancer subtypes, including basal-like breast cancer (BLBC). Using liquid
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