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158040-76-7 | 1H-Benzimidazole-6-carboxylic acid, 2-(2-hydroxyphenyl)-
CAS No: 158040-76-7 Catalog No: AG001PX5 MDL No:MFCD06660385
Product Description
Catalog Number:
AG001PX5
Chemical Name:
1H-Benzimidazole-6-carboxylic acid, 2-(2-hydroxyphenyl)-
CAS Number:
158040-76-7
Molecular Formula:
C14H10N2O3
Molecular Weight:
254.2408
MDL Number:
MFCD06660385
IUPAC Name:
2-(2-hydroxyphenyl)-3H-benzimidazole-5-carboxylic acid
InChI:
InChI=1S/C14H10N2O3/c17-12-4-2-1-3-9(12)13-15-10-6-5-8(14(18)19)7-11(10)16-13/h1-7,17H,(H,15,16)(H,18,19)
InChI Key:
AJQMSSZACZXILU-UHFFFAOYSA-N
SMILES:
Oc1ccccc1c1nc2c([nH]1)cc(cc2)C(=O)O
Properties
Complexity:
350
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:
2.3
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