205985-94-0
(2R,3S)-1-CARBOXY-4-TRIFLUOROMETHYL-2,3-DIHYDROXYCYCLOHEXA-4,6-DIENE
Name(2R,3S)-1-CARBOXY-4-TRIFLUOROMETHYL-2,3-DIHYDROXYCYCLOHEXA-4,6-DIENE
1Identification
【Name】
(2R,3S)-1-CARBOXY-4-TRIFLUOROMETHYL-2,3-DIHYDROXYCYCLOHEXA-4,6-DIENE
【CAS】
【MDL】
MFCD00142980
【English Synonyms】
【Formula】
C8 H7 F3 O4
【MolWeight】
224.133
【Inchi】
InChI=1S/C8H7F3O4/c9-8(10,11)4-2-1-3(7(14)15)5(12)6(4)13/h1-2,5-6,12-13H,(H,14,15)/t5-,6+/m1/s1
【InChIKey】
InChIKey=YUOHBYLMNYOSKZ-RITPCOANSA-N
【SMILES】
C1=C([C@H]([C@H](C(=C1)C(F)(F)F)O)O)C(=O)O
【MOL File】
(2R,3S)-1-CARBOXY-4-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(2R,3S)-1-CARBOXY-4-TRIFLUOROMETHYL-2,3-DIHYDROXYCYCLOHEXA-4,6-DIENE.cml