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About This Item
Empirical Formula (Hill Notation):
C13H18O4
CAS Number:
Molecular Weight:
238.28
NACRES:
NA.25
PubChem Substance ID:
UNSPSC Code:
12352205
MDL number:
assay
≥95% (LC/MS-UV)
form
solid
solubility
DMSO: 1 mg/mL
application(s)
metabolomics
vitamins, nutraceuticals, and natural products
storage temp.
−20°C
SMILES string
OC1=C(C(O)=CC(OC)=C1C(CCC)=O)CC
InChI
1S/C13H18O4/c1-4-6-9(14)12-11(17-3)7-10(15)8(5-2)13(12)16/h7,15-16H,4-6H2,1-3H3
InChI key
GRQAKVFPDMDUIF-UHFFFAOYSA-N
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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