51036-98-7
4-(3,4-DIMETHYLPHENYL)-4-OXOBUTYRIC ACID
Name4-(3,4-DIMETHYLPHENYL)-4-OXOBUTYRIC ACID
1Identification
【Name】
4-(3,4-DIMETHYLPHENYL)-4-OXOBUTYRIC ACID
【CAS】
【MDL】
MFCD01320027
【English Synonyms】
【Formula】
C12 H14 O3
【MolWeight】
206.24
【Inchi】
InChI=1S/C12H14O3/c1-8-3-4-10(7-9(8)2)11(13)5-6-12(14)15/h3-4,7H,5-6H2,1-2H3,(H,14,15)
【InChIKey】
InChIKey=UXIHUHNPOHTZAQ-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1C)C(=O)CCC(=O)O
【MOL File】
4-(3,4-DIMETHYLPHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(3,4-DIMETHYLPHENYL)-4-OXOBUTYRIC ACID.cml