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82586-98-9 | {2-[(pyrrolidin-1-yl)methyl]-1,3-thiazol-4-yl}methanol
CAS No: 82586-98-9 Catalog No: AG01BNIC MDL No:MFCD31429950
Product Description
Catalog Number:
AG01BNIC
Chemical Name:
{2-[(pyrrolidin-1-yl)methyl]-1,3-thiazol-4-yl}methanol
CAS Number:
82586-98-9
Molecular Formula:
C9H14N2OS
Molecular Weight:
198.2853
MDL Number:
MFCD31429950
IUPAC Name:
[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]methanol
InChI:
InChI=1S/C9H14N2OS/c12-6-8-7-13-9(10-8)5-11-3-1-2-4-11/h7,12H,1-6H2
InChI Key:
VBQNHSSRMMQQFO-UHFFFAOYSA-N
SMILES:
OCc1csc(n1)CN1CCCC1
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
3
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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