886498-02-8
4-METHYL-3-(TRIFLUOROMETHYL)CINNAMIC ACID
Name4-METHYL-3-(TRIFLUOROMETHYL)CINNAMIC ACID
1Identification
【Name】
4-METHYL-3-(TRIFLUOROMETHYL)CINNAMIC ACID
【CAS】
【MDL】
MFCD04116034
【English Synonyms】
【Formula】
C11 H9 F3 O2
【MolWeight】
230.184
【Inchi】
InChI=1S/C11H9F3O2/c1-7-2-3-8(4-5-10(15)16)6-9(7)11(12,13)14/h2-6H,1H3,(H,15,16)/b5-4+
【InChIKey】
InChIKey=NYGYUKFEDBHBBB-SNAWJCMRSA-N
【SMILES】
Cc1ccc(cc1C(F)(F)F)/C=C/C(=O)O
【MOL File】
4-METHYL-3-(TRIFLUOR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-METHYL-3-(TRIFLUOROMETHYL)CINNAMIC ACID.cml