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About This Item
Linear Formula:
[CH3C6H4CO2CH(CO2H)-]2 · H2O
CAS Number:
Molecular Weight:
404.37
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352108
EC Number:
251-132-2
MDL number:
Assay:
98%
Form:
solid
InChI key
FOTRUJUPLHRVNU-MOGJOVFKSA-N
InChI
1S/C20H18O8.H2O/c1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14;/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24);1H2/t15-,16-;/m0./s1
SMILES string
O.Cc1ccc(cc1)C(=O)O[C@@H]([C@H](OC(=O)c2ccc(C)cc2)C(O)=O)C(O)=O
assay
98%
form
solid
optical activity
[α]20/D +142°, c = 1 in methanol
mp
163-165 °C (lit.)
functional group
carboxylic acid, ester
Quality Level
Related Categories
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2
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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