502651-11-8
6-OXO-6-(3-TRIFLUOROMETHYLPHENYL)HEXANOIC ACID
Name6-OXO-6-(3-TRIFLUOROMETHYLPHENYL)HEXANOIC ACID
1Identification
【Name】
6-OXO-6-(3-TRIFLUOROMETHYLPHENYL)HEXANOIC ACID
【CAS】
【MDL】
MFCD02260918
【English Synonyms】
【Formula】
C13 H13 F3 O3
【MolWeight】
274.237
【Inchi】
InChI=1S/C13H13F3O3/c14-13(15,16)10-5-3-4-9(8-10)11(17)6-1-2-7-12(18)19/h3-5,8H,1-2,6-7H2,(H,18,19)
【InChIKey】
InChIKey=BZEYCGVQYBZOEK-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)C(F)(F)F)C(=O)CCCCC(=O)O
【MOL File】
6-OXO-6-(3-TRIFLUORO….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
6-OXO-6-(3-TRIFLUOROMETHYLPHENYL)HEXANOIC ACID.cml