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113682-92-1 | 1H-Naphth[2,3-d]imidazole-6,7-dimethanol
CAS No: 113682-92-1 Catalog No: AG0009AU MDL No:
Product Description
Catalog Number:
AG0009AU
Chemical Name:
1H-Naphth[2,3-d]imidazole-6,7-dimethanol
CAS Number:
113682-92-1
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
IUPAC Name:
[6-(hydroxymethyl)-1H-benzo[f]benzimidazol-7-yl]methanol
InChI:
InChI=1S/C13H12N2O2/c16-5-10-1-8-3-12-13(15-7-14-12)4-9(8)2-11(10)6-17/h1-4,7,16-17H,5-6H2,(H,14,15)
InChI Key:
XDPCZTIMQDEZBX-UHFFFAOYSA-N
SMILES:
OCc1cc2cc3[nH]cnc3cc2cc1CO
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
228.251g/mol
Monoisotopic Mass:
228.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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