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Home > Pyridines > 886504-20-7
886504-20-7 | (3-Hydroxy-1-pyridin-2-yl-propyl)-carbamic acid tert-butyl ester
CAS No: 886504-20-7 Catalog No: AG01EYFQ MDL No:
Product Description
Catalog Number:
AG01EYFQ
Chemical Name:
(3-Hydroxy-1-pyridin-2-yl-propyl)-carbamic acid tert-butyl ester
CAS Number:
886504-20-7
Molecular Formula:
C13H20N2O3
Molecular Weight:
252.3095
IUPAC Name:
tert-butyl N-(3-hydroxy-1-pyridin-2-ylpropyl)carbamate
InChI:
InChI=1S/C13H20N2O3/c1-13(2,3)18-12(17)15-11(7-9-16)10-6-4-5-8-14-10/h4-6,8,11,16H,7,9H2,1-3H3,(H,15,17)
InChI Key:
CWNQLSSMFDDPEQ-UHFFFAOYSA-N
SMILES:
OCCC(c1ccccn1)NC(=O)OC(C)(C)C
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.147g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.314g/mol
Monoisotopic Mass:
252.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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