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15880-01-0
4-(2,4,6-TRIMETHYLPHENYL)-4-OXOBUTYRIC ACID
Name
4-(2,4,6-TRIMETHYLPHENYL)-4-OXOBUTYRIC ACID
Formula
C13 H16 O3
MolWeight
220.266
1Identification
【Name】
4-(2,4,6-TRIMETHYLPHENYL)-4-OXOBUTYRIC ACID
【CAS】
【MDL】
MFCD01096406
【English Synonyms】
【Formula】
C13 H16 O3
【MolWeight】
220.266
【Inchi】
InChI=1S/C13H16O3/c1-8-6-9(2)13(10(3)7-8)11(14)4-5-12(15)16/h6-7H,4-5H2,1-3H3,(H,15,16)
【InChIKey】
InChIKey=QWOIQKXIBFKZKN-UHFFFAOYSA-N
【SMILES】
Cc1cc(c(c(c1)C)C(=O)CCC(=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
4-(2,4,6-TRIMETHYLPHENYL)-4-OXOBUTYRIC ACID.cml
Quick Release
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