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Home > Nitro Compounds > 163814-41-3
163814-41-3 | Pyrrolidine, 2-(methoxydiphenylmethyl)-1-[(1E)-2-nitroethenyl]-, (2S)-
CAS No: 163814-41-3 Catalog No: AG001UFD MDL No:MFCD23701670
Product Description
Catalog Number:
AG001UFD
Chemical Name:
Pyrrolidine, 2-(methoxydiphenylmethyl)-1-[(1E)-2-nitroethenyl]-, (2S)-
CAS Number:
163814-41-3
Molecular Formula:
C20H22N2O3
Molecular Weight:
338.4003
MDL Number:
MFCD23701670
IUPAC Name:
(2S)-2-[methoxy(diphenyl)methyl]-1-[(E)-2-nitroethenyl]pyrrolidine
InChI:
InChI=1S/C20H22N2O3/c1-25-20(17-9-4-2-5-10-17,18-11-6-3-7-12-18)19-13-8-14-21(19)15-16-22(23)24/h2-7,9-12,15-16,19H,8,13-14H2,1H3/b16-15+/t19-/m0/s1
InChI Key:
CCYVRDYAEDJRRD-VVLLFNJHSA-N
SMILES:
COC([C@@H]1CCCN1/C=C/[N+](=O)[O-])(c1ccccc1)c1ccccc1
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
1
Exact Mass:
338.163g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.407g/mol
Monoisotopic Mass:
338.163g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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