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500892-07-9
5-(2,4,6-TRIMETHYLPHENYL)-5-OXOVALERIC ACID
Name
5-(2,4,6-TRIMETHYLPHENYL)-5-OXOVALERIC ACID
Formula
C14 H18 O3
MolWeight
234.293
1Identification
【Name】
5-(2,4,6-TRIMETHYLPHENYL)-5-OXOVALERIC ACID
【CAS】
【MDL】
MFCD09801799
【English Synonyms】
【Formula】
C14 H18 O3
【MolWeight】
234.293
【Inchi】
InChI=1S/C14H18O3/c1-9-7-10(2)14(11(3)8-9)12(15)5-4-6-13(16)17/h7-8H,4-6H2,1-3H3,(H,16,17)
【InChIKey】
InChIKey=ZEMMDCNECWHBGE-UHFFFAOYSA-N
【SMILES】
Cc1cc(c(c(c1)C)C(=O)CCCC(=O)O)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(2,4,6-TRIMETHYLPHENYL)-5-OXOVALERIC ACID.cml
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