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Structure

Benzenebutanoic acid,4-ethyl-g-oxo-

CAS
49594-75-4
Catalog Number
ACM49594754
Category
Other Products
Molecular Weight
206.24
Molecular Formula
C12H14O3

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Specification

Synonyms
Maybridge1_002070, Oprea1_304761, 3-(4-Ethylbenzoyl)propionic acid, NSC246068, CID316983, Benzenebutanoic acid, 4-ethyl-.gamma.-oxo-, T0516-7193, 49594-75-4
IUPAC Name
4-(4-ethylphenyl)-4-oxobutanoic acid
Canonical SMILES
CCC1=CC=C(C=C1)C(=O)CCC(=O)O
InChI Key
ZLHLIRYSBPOFQB-UHFFFAOYSA-N
Boiling Point
398.6ºC at 760mmHg
Melting Point
92-94ºC
Flash Point
209ºC
Density
1.136g/cm³
Exact Mass
206.09400
H-Bond Acceptor
3
H-Bond Donor
1
Safety Description
26-36/37/39
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