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1146961-22-9 | 2,4-Pentadienoic acid, 5-(dimethylamino)-2-(2,2,2-trifluoroacetyl)-, ethyl ester
CAS No: 1146961-22-9 Catalog No: AG000F1V MDL No:
Product Description
Catalog Number:
AG000F1V
Chemical Name:
2,4-Pentadienoic acid, 5-(dimethylamino)-2-(2,2,2-trifluoroacetyl)-, ethyl ester
CAS Number:
1146961-22-9
Molecular Formula:
C11H14F3NO3
Molecular Weight:
265.2290
IUPAC Name:
ethyl (2E,4E)-5-(dimethylamino)-2-(2,2,2-trifluoroacetyl)penta-2,4-dienoate
InChI:
InChI=1S/C11H14F3NO3/c1-4-18-10(17)8(6-5-7-15(2)3)9(16)11(12,13)14/h5-7H,4H2,1-3H3/b7-5+,8-6+
InChI Key:
ALTVELAXYXCPIG-KQQUZDAGSA-N
SMILES:
CCOC(=O)C(=CC=CN(C)C)C(=O)C(F)(F)F
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
265.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.232g/mol
Monoisotopic Mass:
265.093g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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