92864-24-9
5-(3,4-DIMETHYLPHENYL)-3-METHYL-5-OXOVALERIC ACID
Name5-(3,4-DIMETHYLPHENYL)-3-METHYL-5-OXOVALERIC ACID
1Identification
【Name】
5-(3,4-DIMETHYLPHENYL)-3-METHYL-5-OXOVALERIC ACID
【CAS】
【MDL】
MFCD09801871
【English Synonyms】
【Formula】
C14 H18 O3
【MolWeight】
234.293
【Inchi】
InChI=1S/C14H18O3/c1-9(7-14(16)17)6-13(15)12-5-4-10(2)11(3)8-12/h4-5,8-9H,6-7H2,1-3H3,(H,16,17)
【InChIKey】
InChIKey=PHIVZYIHGJWKOG-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1C)C(=O)CC(C)CC(=O)O
【MOL File】
5-(3,4-DIMETHYLPHENY….mol
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-(3,4-DIMETHYLPHENYL)-3-METHYL-5-OXOVALERIC ACID.cml