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Home > Indoles and Oxindole > 849924-91-0
849924-91-0 | 6-(Methylsulfonyl);-1-(oxiran-2-ylmethoxy);-1H-indole
CAS No: 849924-91-0 Catalog No: AG004QDB MDL No:MFCD00203135
Product Description
Catalog Number:
AG004QDB
Chemical Name:
6-(Methylsulfonyl);-1-(oxiran-2-ylmethoxy);-1H-indole
CAS Number:
849924-91-0
Molecular Formula:
C12H13NO4S
Molecular Weight:
267.3009
MDL Number:
MFCD00203135
IUPAC Name:
6-methylsulfonyl-1-(oxiran-2-ylmethoxy)indole
InChI:
InChI=1S/C12H13NO4S/c1-18(14,15)11-3-2-9-4-5-13(12(9)6-11)17-8-10-7-16-10/h2-6,10H,7-8H2,1H3
InChI Key:
NDVMFMDJQZWZJJ-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)c1ccc2c(c1)n(OCC1CO1)cc2
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.057g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.299g/mol
Monoisotopic Mass:
267.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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