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Structure

Benzenepropanoic acid,4-methyl-b-oxo-,ethyl ester

CAS
27835-00-3
Catalog Number
ACM27835003
Category
Other Products
Molecular Weight
206.24
Molecular Formula
C12H14O3

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Specification

Synonyms
Ethyl (4-methylbenzoyl)acetate, 559067_ALDRICH, ZINC01606058, CID292637, NSC158544, 27835-00-3
IUPAC Name
ethyl 3-(4-methylphenyl)-3-oxopropanoate
Canonical SMILES
CCOC(=O)CC(=O)C1=CC=C(C=C1)C
InChI Key
GEQMJBPKCOZHMV-UHFFFAOYSA-N
Boiling Point
244-245ºC(lit.)
Flash Point
>230 °F
Density
1.056 g/mL at 25ºC(lit.)
Exact Mass
206.09400
H-Bond Acceptor
3
H-Bond Donor
0
WGK Germany
3
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