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120097-64-5 | Propanedioic acid, 2-(acetylamino)-2-(2,2,2-trifluoroethyl)-, 1,3-diethyl ester
CAS No: 120097-64-5 Catalog No: AG000QAP MDL No:MFCD22421628
Product Description
Catalog Number:
AG000QAP
Chemical Name:
Propanedioic acid, 2-(acetylamino)-2-(2,2,2-trifluoroethyl)-, 1,3-diethyl ester
CAS Number:
120097-64-5
Molecular Formula:
C11H16F3NO5
Molecular Weight:
299.2436
MDL Number:
MFCD22421628
IUPAC Name:
diethyl 2-acetamido-2-(2,2,2-trifluoroethyl)propanedioate
InChI:
InChI=1S/C11H16F3NO5/c1-4-19-8(17)10(15-7(3)16,6-11(12,13)14)9(18)20-5-2/h4-6H2,1-3H3,(H,15,16)
InChI Key:
DTCBHHXHXMSJQL-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)(CC(F)(F)F)NC(=O)C
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.098g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.246g/mol
Monoisotopic Mass:
299.098g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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