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33299-25-1 | 3-(5-Nitro-1H-benzoimidazol-2-yl)-propionic acid
CAS No: 33299-25-1 Catalog No: AG01EVE0 MDL No:
Product Description
Catalog Number:
AG01EVE0
Chemical Name:
3-(5-Nitro-1H-benzoimidazol-2-yl)-propionic acid
CAS Number:
33299-25-1
Molecular Formula:
C10H9N3O4
Molecular Weight:
235.1962
IUPAC Name:
3-(6-nitro-1H-benzimidazol-2-yl)propanoic acid
InChI:
InChI=1S/C10H9N3O4/c14-10(15)4-3-9-11-7-2-1-6(13(16)17)5-8(7)12-9/h1-2,5H,3-4H2,(H,11,12)(H,14,15)
InChI Key:
UPLXRNJPINFWOL-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1nc2c([nH]1)ccc(c2)[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:
235.059g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.199g/mol
Monoisotopic Mass:
235.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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