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Home > Imidazoles > 115664-37-4
115664-37-4 | Benzenemethanol, 3-(1H-imidazol-5-ylmethyl)-2-methyl-
CAS No: 115664-37-4 Catalog No: AG000GQ5 MDL No:
Product Description
Catalog Number:
AG000GQ5
Chemical Name:
Benzenemethanol, 3-(1H-imidazol-5-ylmethyl)-2-methyl-
CAS Number:
115664-37-4
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
IUPAC Name:
[3-(1H-imidazol-5-ylmethyl)-2-methylphenyl]methanol
InChI:
InChI=1S/C12H14N2O/c1-9-10(3-2-4-11(9)7-15)5-12-6-13-8-14-12/h2-4,6,8,15H,5,7H2,1H3,(H,13,14)
InChI Key:
RDAWYMFVGHLOAF-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1C)Cc1cnc[nH]1
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.257g/mol
Monoisotopic Mass:
202.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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