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851669-20-0 | 1H-Benzimidazole-5-carboxylicacid, 2,3-dihydro-
CAS No: 851669-20-0 Catalog No: AG004MXF MDL No:
Product Description
Catalog Number:
AG004MXF
Chemical Name:
1H-Benzimidazole-5-carboxylicacid, 2,3-dihydro-
CAS Number:
851669-20-0
Molecular Formula:
C8H8N2O2
Molecular Weight:
164.1613
IUPAC Name:
2,3-dihydro-1H-benzimidazole-5-carboxylic acid
InChI:
InChI=1S/C8H8N2O2/c11-8(12)5-1-2-6-7(3-5)10-4-9-6/h1-3,9-10H,4H2,(H,11,12)
InChI Key:
WIIFZYZMLRVMIP-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)NCN2
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
164.164g/mol
Monoisotopic Mass:
164.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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