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About This Item
Empirical Formula (Hill Notation):
C12H12O4
CAS Number:
Molecular Weight:
220.22
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Form:
powder
grade
technical grade
form
powder
mp
139-144 °C (lit.)
solubility
chloroform: soluble 5%, clear, yellow-brown
functional group
carboxylic acid, ketone
SMILES string
COc1ccc2C(=O)CC(CC(O)=O)c2c1
InChI
1S/C12H12O4/c1-16-8-2-3-9-10(6-8)7(4-11(9)13)5-12(14)15/h2-3,6-7H,4-5H2,1H3,(H,14,15)
InChI key
QOTZOFGBBCMWEP-UHFFFAOYSA-N
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
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