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116796-00-0 | Benzenemethanol, 2-hydroxy-3-(1H-imidazol-5-ylmethyl)-5-methyl-
CAS No: 116796-00-0 Catalog No: AG000D7X MDL No:
Product Description
Catalog Number:
AG000D7X
Chemical Name:
Benzenemethanol, 2-hydroxy-3-(1H-imidazol-5-ylmethyl)-5-methyl-
CAS Number:
116796-00-0
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
IUPAC Name:
2-(hydroxymethyl)-6-(1H-imidazol-5-ylmethyl)-4-methylphenol
InChI:
InChI=1S/C12H14N2O2/c1-8-2-9(4-11-5-13-7-14-11)12(16)10(3-8)6-15/h2-3,5,7,15-16H,4,6H2,1H3,(H,13,14)
InChI Key:
CEPBGDOKCKFPQK-UHFFFAOYSA-N
SMILES:
OCc1cc(C)cc(c1O)Cc1cnc[nH]1
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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