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83794-86-9 | Benzenemethanol,3-mercapto-
CAS No: 83794-86-9 Catalog No: AG0055PP MDL No:MFCD08437610
Product Description
Catalog Number:
AG0055PP
Chemical Name:
Benzenemethanol,3-mercapto-
CAS Number:
83794-86-9
Molecular Formula:
C7H8OS
Molecular Weight:
140.2028
MDL Number:
MFCD08437610
IUPAC Name:
(3-sulfanylphenyl)methanol
InChI:
InChI=1S/C7H8OS/c8-5-6-2-1-3-7(9)4-6/h1-4,8-9H,5H2
InChI Key:
IIPCTBAMTPCGJK-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1)S
Properties
Complexity:
85
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.03g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
140.2g/mol
Monoisotopic Mass:
140.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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