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146578-78-1 | 1H-Benzimidazole-1-acetic acid, 2-amino-
CAS No: 146578-78-1 Catalog No: AG001E5K MDL No:
Product Description
Catalog Number:
AG001E5K
Chemical Name:
1H-Benzimidazole-1-acetic acid, 2-amino-
CAS Number:
146578-78-1
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
IUPAC Name:
2-(2-aminobenzimidazol-1-yl)acetic acid
InChI:
InChI=1S/C9H9N3O2/c10-9-11-6-3-1-2-4-7(6)12(9)5-8(13)14/h1-4H,5H2,(H2,10,11)(H,13,14)
InChI Key:
ZLEPKTDVTFLPQI-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1c(N)nc2c1cccc2
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.19g/mol
Monoisotopic Mass:
191.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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