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114906-11-5 | 2-Pyrrolidinemethanol, 1-(6-nitro-3-pyridinyl)-, (S)- (9CI)
CAS No: 114906-11-5 Catalog No: AG000FF2 MDL No:
Product Description
Catalog Number:
AG000FF2
Chemical Name:
2-Pyrrolidinemethanol, 1-(6-nitro-3-pyridinyl)-, (S)- (9CI)
CAS Number:
114906-11-5
Molecular Formula:
C10H13N3O3
Molecular Weight:
223.2285
IUPAC Name:
[1-(6-nitropyridin-3-yl)pyrrolidin-2-yl]methanol
InChI:
InChI=1S/C10H13N3O3/c14-7-9-2-1-5-12(9)8-3-4-10(11-6-8)13(15)16/h3-4,6,9,14H,1-2,5,7H2
InChI Key:
POSKZVBYPICXRD-UHFFFAOYSA-N
SMILES:
OC[C@@H]1CCCN1c1ccc(nc1)[N+](=O)[O-]
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.096g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.232g/mol
Monoisotopic Mass:
223.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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