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156135-50-1 | 1H-Indole-3-acetic acid, 2-mercapto-
CAS No: 156135-50-1 Catalog No: AG001OK3 MDL No:
Product Description
Catalog Number:
AG001OK3
Chemical Name:
1H-Indole-3-acetic acid, 2-mercapto-
CAS Number:
156135-50-1
Molecular Formula:
C10H9NO2S
Molecular Weight:
207.2490
IUPAC Name:
2-(2-sulfanyl-1H-indol-3-yl)acetic acid
InChI:
InChI=1S/C10H9NO2S/c12-9(13)5-7-6-3-1-2-4-8(6)11-10(7)14/h1-4,11,14H,5H2,(H,12,13)
InChI Key:
OOAVIUDEDGYNKT-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c(S)[nH]c2c1cccc2
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
207.247g/mol
Monoisotopic Mass:
207.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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