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126139-05-7 | Thiophene-3-ol, 2,5-diphenyl-
CAS No: 126139-05-7 Catalog No: AG000RQX MDL No:
Product Description
Catalog Number:
AG000RQX
Chemical Name:
Thiophene-3-ol, 2,5-diphenyl-
CAS Number:
126139-05-7
Molecular Formula:
C16H12OS
Molecular Weight:
252.3309
IUPAC Name:
2,5-diphenylthiophen-3-ol
InChI:
InChI=1S/C16H12OS/c17-14-11-15(12-7-3-1-4-8-12)18-16(14)13-9-5-2-6-10-13/h1-11,17H
InChI Key:
VSFLLFSTCSEFFB-UHFFFAOYSA-N
SMILES:
Oc1cc(sc1c1ccccc1)c1ccccc1
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.061g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.331g/mol
Monoisotopic Mass:
252.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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