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Home > Indoles and Oxindole > 128810-31-1
128810-31-1 | 1H-Indol-5-ol, 5-methanesulfonate
CAS No: 128810-31-1 Catalog No: AG000YE8 MDL No:
Product Description
Catalog Number:
AG000YE8
Chemical Name:
1H-Indol-5-ol, 5-methanesulfonate
CAS Number:
128810-31-1
Molecular Formula:
C9H9NO3S
Molecular Weight:
211.2377
IUPAC Name:
1H-indol-5-yl methanesulfonate
InChI:
InChI=1S/C9H9NO3S/c1-14(11,12)13-8-2-3-9-7(6-8)4-5-10-9/h2-6,10H,1H3
InChI Key:
IAMXTDCFMWTBCK-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)Oc1ccc2c(c1)cc[nH]2
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.03g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.235g/mol
Monoisotopic Mass:
211.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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