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168159-02-2 | Benzo[b]thiophene-3-ol, 2,3-dihydro-, (3S)-
CAS No: 168159-02-2 Catalog No: AG001XVS MDL No:MFCD22421778
Product Description
Catalog Number:
AG001XVS
Chemical Name:
Benzo[b]thiophene-3-ol, 2,3-dihydro-, (3S)-
CAS Number:
168159-02-2
Molecular Formula:
C8H8OS
Molecular Weight:
152.2135
MDL Number:
MFCD22421778
IUPAC Name:
(3S)-2,3-dihydro-1-benzothiophen-3-ol
InChI:
InChI=1S/C8H8OS/c9-7-5-10-8-4-2-1-3-6(7)8/h1-4,7,9H,5H2/t7-/m1/s1
InChI Key:
GYWNZRQEOZRAPT-SSDOTTSWSA-N
SMILES:
O[C@@H]1CSc2c1cccc2
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
152.03g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.211g/mol
Monoisotopic Mass:
152.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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