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174533-98-3 | 1H-Benzimidazole-6-carboxylic acid, 2-(4-hydroxyphenyl)-
CAS No: 174533-98-3 Catalog No: AG001ZRC MDL No:MFCD06660386
Product Description
Catalog Number:
AG001ZRC
Chemical Name:
1H-Benzimidazole-6-carboxylic acid, 2-(4-hydroxyphenyl)-
CAS Number:
174533-98-3
Molecular Formula:
C14H10N2O3
Molecular Weight:
254.2408
MDL Number:
MFCD06660386
IUPAC Name:
2-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxylic acid
InChI:
InChI=1S/C14H10N2O3/c17-10-4-1-8(2-5-10)13-15-11-6-3-9(14(18)19)7-12(11)16-13/h1-7,17H,(H,15,16)(H,18,19)
InChI Key:
BJNKGDUQIIAXNR-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1nc2c([nH]1)cc(cc2)C(=O)O
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.069g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
254.245g/mol
Monoisotopic Mass:
254.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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