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521298-32-8 | 2,3-Dihydroxy-3-(5-nitro-1H-benzoimidazol-2-yl)-propionic acid
CAS No: 521298-32-8 Catalog No: AG01EWC6 MDL No:
Product Description
Catalog Number:
AG01EWC6
Chemical Name:
2,3-Dihydroxy-3-(5-nitro-1H-benzoimidazol-2-yl)-propionic acid
CAS Number:
521298-32-8
Molecular Formula:
C10H9N3O6
Molecular Weight:
267.1950
IUPAC Name:
2,3-dihydroxy-3-(6-nitro-1H-benzimidazol-2-yl)propanoic acid
InChI:
InChI=1S/C10H9N3O6/c14-7(8(15)10(16)17)9-11-5-2-1-4(13(18)19)3-6(5)12-9/h1-3,7-8,14-15H,(H,11,12)(H,16,17)
InChI Key:
NEGBSIRTXXENFS-UHFFFAOYSA-N
SMILES:
OC(=O)C(C(c1nc2c([nH]1)ccc(c2)[N+](=O)[O-])O)O
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.049g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
267.197g/mol
Monoisotopic Mass:
267.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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