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113721-52-1 | Benzo[b]thiophene-3-carboxamide, N-ethenyl-2-hydroxy-
CAS No: 113721-52-1 Catalog No: AG0009GE MDL No:
Product Description
Catalog Number:
AG0009GE
Chemical Name:
Benzo[b]thiophene-3-carboxamide, N-ethenyl-2-hydroxy-
CAS Number:
113721-52-1
Molecular Formula:
C11H9NO2S
Molecular Weight:
219.2597
IUPAC Name:
N-ethenyl-2-hydroxy-1-benzothiophene-3-carboxamide
InChI:
InChI=1S/C11H9NO2S/c1-2-12-10(13)9-7-5-3-4-6-8(7)15-11(9)14/h2-6,14H,1H2,(H,12,13)
InChI Key:
XMJNRPXJJDHHBO-UHFFFAOYSA-N
SMILES:
C=CNC(=O)c1c(O)sc2c1cccc2
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.035g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.258g/mol
Monoisotopic Mass:
219.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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