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Home > Pyridines > 811801-40-8
811801-40-8 | [3-[[(PYRIDIN-4-YL)THIO]METHYL]PHENYL]METHANOL
CAS No: 811801-40-8 Catalog No: AG00GLLB MDL No:MFCD20484656
Product Description
Catalog Number:
AG00GLLB
Chemical Name:
[3-[[(PYRIDIN-4-YL)THIO]METHYL]PHENYL]METHANOL
CAS Number:
811801-40-8
MDL Number:
MFCD20484656
IUPAC Name:
[3-(pyridin-4-ylsulfanylmethyl)phenyl]methanol
InChI:
InChI=1S/C13H13NOS/c15-9-11-2-1-3-12(8-11)10-16-13-4-6-14-7-5-13/h1-8,15H,9-10H2
InChI Key:
DHIDEDJMZMWOAM-UHFFFAOYSA-N
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.072g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.313g/mol
Monoisotopic Mass:
231.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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