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17890-56-1 | Benzo[b]thiophen-2-ylmethanol
CAS No: 17890-56-1 Catalog No: AG0026GS MDL No:MFCD02682004
Product Description
Catalog Number:
AG0026GS
Chemical Name:
Benzo[b]thiophen-2-ylmethanol
CAS Number:
17890-56-1
Molecular Formula:
C9H8OS
Molecular Weight:
164.2242
MDL Number:
MFCD02682004
IUPAC Name:
1-benzothiophen-2-ylmethanol
InChI:
InChI=1S/C9H8OS/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5,10H,6H2
InChI Key:
SUHKSQTXXZQEBH-UHFFFAOYSA-N
SMILES:
OCc1cc2c(s1)cccc2
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.03g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.222g/mol
Monoisotopic Mass:
164.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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