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Home > Nitro Compounds > 122092-22-2
122092-22-2 | L-Proline, 1-(5-nitro-2-pyridinyl)-, methyl ester
CAS No: 122092-22-2 Catalog No: AG0016QN MDL No:MFCD08689691
Product Description
Catalog Number:
AG0016QN
Chemical Name:
L-Proline, 1-(5-nitro-2-pyridinyl)-, methyl ester
CAS Number:
122092-22-2
Molecular Formula:
C11H13N3O4
Molecular Weight:
251.2386
MDL Number:
MFCD08689691
IUPAC Name:
methyl (2S)-1-(5-nitropyridin-2-yl)pyrrolidine-2-carboxylate
InChI:
InChI=1S/C11H13N3O4/c1-18-11(15)9-3-2-6-13(9)10-5-4-8(7-12-10)14(16)17/h4-5,7,9H,2-3,6H2,1H3/t9-/m0/s1
InChI Key:
NDZYRKDQBWLBHP-VIFPVBQESA-N
SMILES:
COC(=O)[C@@H]1CCCN1c1ccc(cn1)[N+](=O)[O-]
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
251.091g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.242g/mol
Monoisotopic Mass:
251.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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