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116496-01-6 | Benzo[b]thiophene-2-methanol, α-phenyl-
CAS No: 116496-01-6 Catalog No: AG000CMJ MDL No:
Product Description
Catalog Number:
AG000CMJ
Chemical Name:
Benzo[b]thiophene-2-methanol, α-phenyl-
CAS Number:
116496-01-6
Molecular Formula:
C15H12OS
Molecular Weight:
240.3202
IUPAC Name:
1-benzothiophen-2-yl(phenyl)methanol
InChI:
InChI=1S/C15H12OS/c16-15(11-6-2-1-3-7-11)14-10-12-8-4-5-9-13(12)17-14/h1-10,15-16H
InChI Key:
ILMXGRVAPAQFTQ-UHFFFAOYSA-N
SMILES:
OC(c1cc2c(s1)cccc2)c1ccccc1
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.061g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.32g/mol
Monoisotopic Mass:
240.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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