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123095-08-9 | 2H-Thiopyran-4-ethanol, tetrahydro-
CAS No: 123095-08-9 Catalog No: AG000K0V MDL No:
Product Description
Catalog Number:
AG000K0V
Chemical Name:
2H-Thiopyran-4-ethanol, tetrahydro-
CAS Number:
123095-08-9
Molecular Formula:
C7H14OS
Molecular Weight:
146.2505
IUPAC Name:
2-(thian-4-yl)ethanol
InChI:
InChI=1S/C7H14OS/c8-4-1-7-2-5-9-6-3-7/h7-8H,1-6H2
InChI Key:
JLWVKGJKBUPZKJ-UHFFFAOYSA-N
SMILES:
OCCC1CCSCC1
Properties
Complexity:
69.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.077g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.248g/mol
Monoisotopic Mass:
146.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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