CAS
539-44-6 Purity
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539-44-6 Purity
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4-(2,5-Dimethyl-phenyl)-4-oxo-butyric acid
CAS
5394-59-2
Catalog Number
ACM5394592
Category
Other Products
Molecular Weight
206.2378
Molecular Formula
C12H14O3
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Specification
Synonyms
ZINC00073731, CID6922815, 5394-59-2
IUPAC Name
4-(2,5-dimethylphenyl)-4-oxobutanoate
Canonical SMILES
CC1=CC(=C(C=C1)C)C(=O)CCC(=O)O
InChI Key
XWTZKGVORJIFAF-UHFFFAOYSA-M
Boiling Point
388.9ºC at 760 mmHg
Flash Point
203.2ºC
Density
1.138g/cm³
Exact Mass
206.09400
H-Bond Acceptor
3
H-Bond Donor
0
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