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369-08-4 | N-(2,2,2-Trifluoroacetyl)-L-aspartic acid
CAS No: 369-08-4 Catalog No: AG01FBQE MDL No:
Product Description
Catalog Number:
AG01FBQE
Chemical Name:
N-(2,2,2-Trifluoroacetyl)-L-aspartic acid
CAS Number:
369-08-4
Molecular Formula:
C6H6F3NO5
Molecular Weight:
229.1107
IUPAC Name:
(2S)-2-[(2,2,2-trifluoroacetyl)amino]butanedioic acid
InChI:
InChI=1S/C6H6F3NO5/c7-6(8,9)5(15)10-2(4(13)14)1-3(11)12/h2H,1H2,(H,10,15)(H,11,12)(H,13,14)/t2-/m0/s1
InChI Key:
NTFULCXLYCSQIW-REOHCLBHSA-N
SMILES:
OC(=O)C[C@@H](C(=O)O)NC(=O)C(F)(F)F
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
229.02g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
229.111g/mol
Monoisotopic Mass:
229.02g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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