133992-79-7
3-PHENYL-2-(4,4,4-TRIFLUORO-3-OXO-BUT-1-ENYLAMINO)-PROPIONIC ACID
Name
3-PHENYL-2-(4,4,4-TRIFLUORO-3-OXO-BUT-1-ENYLAMINO)-PROPIONIC ACID
Formula
C13 H12 F3 N O3
MolWeight
287.236
1Identification
【Name】
3-PHENYL-2-(4,4,4-TRIFLUORO-3-OXO-BUT-1-ENYLAMINO)-PROPIONIC ACID
【CAS】
【MDL】
MFCD01532486
【English Synonyms】
【Formula】
C13 H12 F3 N O3
【MolWeight】
287.236
【Inchi】
InChI=1S/C13H12F3NO3/c14-13(15,16)11(18)6-7-17-10(12(19)20)8-9-4-2-1-3-5-9/h1-7,10,17H,8H2,(H,19,20)/b7-6+
【InChIKey】
InChIKey=MLIIENMBDGAIEZ-VOTSOKGWSA-N
【SMILES】
c1ccc(cc1)CC(C(=O)O)N/C=C/C(=O)C(F)(F)F
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-PHENYL-2-(4,4,4-TRIFLUORO-3-OXO-BUT-1-ENYLAMINO)-PROPIONIC ACID.cml
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