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Home > Indoles and Oxindole > 187030-13-3
187030-13-3 | 4-(1H-Indol-3-ylsulfanyl)-butyric acid
CAS No: 187030-13-3 Catalog No: AG01FCTA MDL No:
Product Description
Catalog Number:
AG01FCTA
Chemical Name:
4-(1H-Indol-3-ylsulfanyl)-butyric acid
CAS Number:
187030-13-3
Molecular Formula:
C12H13NO2S
Molecular Weight:
235.3021
IUPAC Name:
4-(1H-indol-3-ylsulfanyl)butanoic acid
InChI:
InChI=1S/C12H13NO2S/c14-12(15)6-3-7-16-11-8-13-10-5-2-1-4-9(10)11/h1-2,4-5,8,13H,3,6-7H2,(H,14,15)
InChI Key:
NQJFDFYPIHKGRV-UHFFFAOYSA-N
SMILES:
OC(=O)CCCSc1c[nH]c2c1cccc2
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.067g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.301g/mol
Monoisotopic Mass:
235.067g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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