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Home > Pyridines > 2059971-51-4
2059971-51-4 | tert-butyl N-[1,3-dihydroxy-1-(pyridin-3-yl)propan-2-yl]carbamate
CAS No: 2059971-51-4 Catalog No: AG01C01O MDL No:MFCD30497777
Product Description
Catalog Number:
AG01C01O
Chemical Name:
tert-butyl N-[1,3-dihydroxy-1-(pyridin-3-yl)propan-2-yl]carbamate
CAS Number:
2059971-51-4
Molecular Formula:
C13H20N2O4
Molecular Weight:
268.3089
MDL Number:
MFCD30497777
IUPAC Name:
tert-butyl N-(1,3-dihydroxy-1-pyridin-3-ylpropan-2-yl)carbamate
InChI:
InChI=1S/C13H20N2O4/c1-13(2,3)19-12(18)15-10(8-16)11(17)9-5-4-6-14-7-9/h4-7,10-11,16-17H,8H2,1-3H3,(H,15,18)
InChI Key:
JMZIPTNZXSFSBX-UHFFFAOYSA-N
SMILES:
OCC(C(c1cccnc1)O)NC(=O)OC(C)(C)C
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.142g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
268.313g/mol
Monoisotopic Mass:
268.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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