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Home > Nitro Compounds > 162755-95-5
162755-95-5 | Pyrrolidine, 1-nitroso-2-[(phenylmethoxy)methyl]-, (2S)-
CAS No: 162755-95-5 Catalog No: AG001TEB MDL No:
Product Description
Catalog Number:
AG001TEB
Chemical Name:
Pyrrolidine, 1-nitroso-2-[(phenylmethoxy)methyl]-, (2S)-
CAS Number:
162755-95-5
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
IUPAC Name:
(2S)-1-nitroso-2-(phenylmethoxymethyl)pyrrolidine
InChI:
InChI=1S/C12H16N2O2/c15-13-14-8-4-7-12(14)10-16-9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2/t12-/m0/s1
InChI Key:
LEZQNKFMCRBEOL-LBPRGKRZSA-N
SMILES:
O=NN1CCC[C@H]1COCc1ccccc1
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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