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933682-96-3 | 4-(methylamino)tetrahydro-2H-thiopyran-4-carboxylic acid
CAS No: 933682-96-3 Catalog No: AG01FOQS MDL No:
Product Description
Catalog Number:
AG01FOQS
Chemical Name:
4-(methylamino)tetrahydro-2H-thiopyran-4-carboxylic acid
CAS Number:
933682-96-3
IUPAC Name:
4-(methylamino)thiane-4-carboxylic acid
InChI:
InChI=1S/C7H13NO2S/c1-8-7(6(9)10)2-4-11-5-3-7/h8H,2-5H2,1H3,(H,9,10)
InChI Key:
YYKFHPWVZLOKOU-UHFFFAOYSA-N
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.067g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
175.246g/mol
Monoisotopic Mass:
175.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
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