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1289689-35-5 | 3-Pyrrolidinol, 1-[1-(2-thiazolyl)ethyl]-, (3S)-
CAS No: 1289689-35-5 Catalog No: AG000YPU MDL No:
Product Description
Catalog Number:
AG000YPU
Chemical Name:
3-Pyrrolidinol, 1-[1-(2-thiazolyl)ethyl]-, (3S)-
CAS Number:
1289689-35-5
Molecular Formula:
C9H14N2OS
Molecular Weight:
198.2853
IUPAC Name:
(3S)-1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-ol
InChI:
InChI=1S/C9H14N2OS/c1-7(9-10-3-5-13-9)11-4-2-8(12)6-11/h3,5,7-8,12H,2,4,6H2,1H3/t7?,8-/m0/s1
InChI Key:
VREVUQMCBGOQCP-MQWKRIRWSA-N
SMILES:
O[C@H]1CCN(C1)C(c1nccs1)C
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
198.083g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.284g/mol
Monoisotopic Mass:
198.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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