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89218-97-3 | Glycine, N-(carboxymethyl)-N-[(5-nitro-1H-benzimidazol-2-yl)methyl]-
CAS No: 89218-97-3 Catalog No: AG0044PJ MDL No:
Product Description
Catalog Number:
AG0044PJ
Chemical Name:
Glycine, N-(carboxymethyl)-N-[(5-nitro-1H-benzimidazol-2-yl)methyl]-
CAS Number:
89218-97-3
Molecular Formula:
C12H12N4O6
Molecular Weight:
308.2469
IUPAC Name:
2-[carboxymethyl-[(6-nitro-1H-benzimidazol-2-yl)methyl]amino]acetic acid
InChI:
InChI=1S/C12H12N4O6/c17-11(18)5-15(6-12(19)20)4-10-13-8-2-1-7(16(21)22)3-9(8)14-10/h1-3H,4-6H2,(H,13,14)(H,17,18)(H,19,20)
InChI Key:
FVGSHPUTWQIKAG-UHFFFAOYSA-N
SMILES:
OC(=O)CN(Cc1nc2c([nH]1)ccc(c2)[N+](=O)[O-])CC(=O)O
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.076g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
308.25g/mol
Monoisotopic Mass:
308.076g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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