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2-Amino-1H-benzo[d]imidazole-5-carboxylic acid

CAS No.:
76391-97-4
Catalog Number:
AG005CBW
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$608
- +
Product Description
Catalog Number:
AG005CBW
Chemical Name:
2-Amino-1H-benzo[d]imidazole-5-carboxylic acid
CAS Number:
76391-97-4
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
MDL Number:
MFCD03840776
IUPAC Name:
2-amino-3H-benzimidazole-5-carboxylic acid
InChI:
InChI=1S/C8H7N3O2/c9-8-10-5-2-1-4(7(12)13)3-6(5)11-8/h1-3H,(H,12,13)(H3,9,10,11)
InChI Key:
QNBMELTXPLGIMF-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)[nH]c(n2)N
Properties
Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.054g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
177.163g/mol
Monoisotopic Mass:
177.054g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
92A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties