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139393-02-5 | L-Tryptophan, 5-cyano-
CAS No: 139393-02-5 Catalog No: AG001AX1 MDL No:MFCD02683928
Product Description
Catalog Number:
AG001AX1
Chemical Name:
L-Tryptophan, 5-cyano-
CAS Number:
139393-02-5
Molecular Formula:
C12H11N3O2
Molecular Weight:
229.2346
MDL Number:
MFCD02683928
IUPAC Name:
2-amino-3-(5-cyano-1H-indol-3-yl)propanoic acid
InChI:
InChI=1S/C12H11N3O2/c13-5-7-1-2-11-9(3-7)8(6-15-11)4-10(14)12(16)17/h1-3,6,10,15H,4,14H2,(H,16,17)
InChI Key:
RWUVZHFIVNNDBO-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
229.239g/mol
Monoisotopic Mass:
229.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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