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Home > Indoles and Oxindole > 113549-08-9
113549-08-9 | Spiro[3H-indole-3,2'-[1,3]oxathiolan]-2(1H)-one
CAS No: 113549-08-9 Catalog No: AG0008Y7 MDL No:
Product Description
Catalog Number:
AG0008Y7
Chemical Name:
Spiro[3H-indole-3,2'-[1,3]oxathiolan]-2(1H)-one
CAS Number:
113549-08-9
Molecular Formula:
C10H9NO2S
Molecular Weight:
207.2490
IUPAC Name:
spiro[1,3-oxathiolane-2,3'-1H-indole]-2'-one
InChI:
InChI=1S/C10H9NO2S/c12-9-10(13-5-6-14-10)7-3-1-2-4-8(7)11-9/h1-4H,5-6H2,(H,11,12)
InChI Key:
ZIBIJMUZBVWSHR-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C31OCCS3)cccc2
NSC Number:
606972
Properties
Complexity:
271
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:
1
Isotope Atom Count:
0
Molecular Weight:
207.247g/mol
Monoisotopic Mass:
207.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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