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82381-67-7 | 1-[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]piperidin-3-ol
CAS No: 82381-67-7 Catalog No: AG0052VT MDL No:
Product Description
Catalog Number:
AG0052VT
Chemical Name:
1-[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]piperidin-3-ol
CAS Number:
82381-67-7
Molecular Formula:
C11H18N4O4
Molecular Weight:
270.2850
IUPAC Name:
1-[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]piperidin-3-ol
InChI:
InChI=1S/C11H18N4O4/c16-9-2-1-4-13(6-9)7-10(17)8-14-5-3-12-11(14)15(18)19/h3,5,9-10,16-17H,1-2,4,6-8H2
InChI Key:
NZLBVURLEKAMKZ-UHFFFAOYSA-N
SMILES:
OC(Cn1ccnc1[N+](=O)[O-])CN1CCCC(C1)O
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.133g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.289g/mol
Monoisotopic Mass:
270.133g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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