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Home > Nitro Compounds > 89860-68-4
89860-68-4 | L-Proline, 1-(2-nitro-3-pyridinyl)-
CAS No: 89860-68-4 Catalog No: AG003X2E MDL No:
Product Description
Catalog Number:
AG003X2E
Chemical Name:
L-Proline, 1-(2-nitro-3-pyridinyl)-
CAS Number:
89860-68-4
Molecular Formula:
C10H11N3O4
Molecular Weight:
237.2120
IUPAC Name:
1-(2-nitropyridin-3-yl)pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C10H11N3O4/c14-10(15)8-4-2-6-12(8)7-3-1-5-11-9(7)13(16)17/h1,3,5,8H,2,4,6H2,(H,14,15)
InChI Key:
QMBQFGYCSSOABO-UHFFFAOYSA-N
SMILES:
OC(=O)[C@@H]1CCCN1c1cccnc1[N+](=O)[O-]
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.075g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.215g/mol
Monoisotopic Mass:
237.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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