502651-48-1
5-OXO-5-(2-TRIFLUOROMETHYLPHENYL)VALERIC ACID
Name5-OXO-5-(2-TRIFLUOROMETHYLPHENYL)VALERIC ACID
1Identification
【Name】
5-OXO-5-(2-TRIFLUOROMETHYLPHENYL)VALERIC ACID
【CAS】
【MDL】
MFCD02260912
【English Synonyms】
【Formula】
C12 H11 F3 O3
【MolWeight】
260.21
【Inchi】
InChI=1S/C12H11F3O3/c13-12(14,15)9-5-2-1-4-8(9)10(16)6-3-7-11(17)18/h1-2,4-5H,3,6-7H2,(H,17,18)
【InChIKey】
InChIKey=XNBUWWSMNRASBY-UHFFFAOYSA-N
【SMILES】
c1ccc(c(c1)C(=O)CCCC(=O)O)C(F)(F)F
【MOL File】
5-OXO-5-(2-TRIFLUORO….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
5-OXO-5-(2-TRIFLUOROMETHYLPHENYL)VALERIC ACID.cml