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Home > Fluorides > 138140-05-3
138140-05-3 | L-Alanine, N-[2-[(acetylthio)methyl]-3,3,3-trifluoro-1-oxopropyl]-
CAS No: 138140-05-3 Catalog No: AG00181B MDL No:
Product Description
Catalog Number:
AG00181B
Chemical Name:
L-Alanine, N-[2-[(acetylthio)methyl]-3,3,3-trifluoro-1-oxopropyl]-
CAS Number:
138140-05-3
Molecular Formula:
C9H12F3NO4S
Molecular Weight:
287.2561
IUPAC Name:
2-[[2-(acetylsulfanylmethyl)-3,3,3-trifluoropropanoyl]amino]propanoic acid
InChI:
InChI=1S/C9H12F3NO4S/c1-4(8(16)17)13-7(15)6(9(10,11)12)3-18-5(2)14/h4,6H,3H2,1-2H3,(H,13,15)(H,16,17)
InChI Key:
LKUFOLDDUDRYEL-UHFFFAOYSA-N
SMILES:
CC(=O)SCC(C(F)(F)F)C(=O)N[C@H](C(=O)O)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.044g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
287.253g/mol
Monoisotopic Mass:
287.044g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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