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115219-07-3 | 4-Thiazolidinecarboxylic acid, 2-(1H-indol-3-ylmethyl)-
CAS No: 115219-07-3 Catalog No: AG000GH5 MDL No:
Product Description
Catalog Number:
AG000GH5
Chemical Name:
4-Thiazolidinecarboxylic acid, 2-(1H-indol-3-ylmethyl)-
CAS Number:
115219-07-3
Molecular Formula:
C13H14N2O2S
Molecular Weight:
262.3275
IUPAC Name:
2-(1H-indol-3-ylmethyl)-1,3-thiazolidine-4-carboxylic acid
InChI:
InChI=1S/C13H14N2O2S/c16-13(17)11-7-18-12(15-11)5-8-6-14-10-4-2-1-3-9(8)10/h1-4,6,11-12,14-15H,5,7H2,(H,16,17)
InChI Key:
IPYJWACEFWLBMV-UHFFFAOYSA-N
SMILES:
OC(=O)C1CSC(N1)Cc1c[nH]c2c1cccc2
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.078g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
262.327g/mol
Monoisotopic Mass:
262.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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