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About This Item
Linear Formula:
C7H11(O)CO2CH3
CAS Number:
Molecular Weight:
170.21
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
Assay
99%
refractive index
n20/D 1.474 (lit.)
bp
112-114 °C/10 mmHg (lit.)
density
1.09 g/mL at 25 °C (lit.)
SMILES string
COC(=O)C1CCCCCC1=O
InChI
1S/C9H14O3/c1-12-9(11)7-5-3-2-4-6-8(7)10/h7H,2-6H2,1H3
InChI key
BLNHITXSJKCQGZ-UHFFFAOYSA-N
Related Categories
Application
Methyl 2-oxo-1-cycloheptanecarboxylate was used in preparation of:
- hydroxycoumarins via Pechmann condensation with polyphenols
- 3-hydroxy-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-6-one
- 3-hydroxy-4-methyl-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-6-one
Storage Class Code
10 - Combustible liquids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.
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Find documentation for the products that you have recently purchased in the Document Library.
Modified coumarins. 12. Synthesis of 3, 4-cycloannelated coumarin ?-d-glucopyranosides.
Garazd YL, et al.
Chemistry of Natural Compounds, 40(1), 6-12 (2004)
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