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1289385-76-7 | 1-Thiazol-5-ylmethyl-pyrrolidin-3-ol
CAS No: 1289385-76-7 Catalog No: AG01ERW8 MDL No:
Product Description
Catalog Number:
AG01ERW8
Chemical Name:
1-Thiazol-5-ylmethyl-pyrrolidin-3-ol
CAS Number:
1289385-76-7
Molecular Formula:
C8H12N2OS
Molecular Weight:
184.2587
IUPAC Name:
1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol
InChI:
InChI=1S/C8H12N2OS/c11-7-1-2-10(4-7)5-8-3-9-6-12-8/h3,6-7,11H,1-2,4-5H2
InChI Key:
ILMHVKMFIHYGJQ-UHFFFAOYSA-N
SMILES:
OC1CCN(C1)Cc1cncs1
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.067g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.257g/mol
Monoisotopic Mass:
184.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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