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Home > Imidazoles > 61698-32-6
61698-32-6 | 1H-Imidazole-4,5-dimethanol, 2-phenyl-
CAS No: 61698-32-6 Catalog No: AG00IAWO MDL No:MFCD00047017
Product Description
Catalog Number:
AG00IAWO
Chemical Name:
1H-Imidazole-4,5-dimethanol, 2-phenyl-
CAS Number:
61698-32-6
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
MDL Number:
MFCD00047017
IUPAC Name:
[4-(hydroxymethyl)-2-phenyl-1H-imidazol-5-yl]methanol
InChI:
InChI=1S/C11H12N2O2/c14-6-9-10(7-15)13-11(12-9)8-4-2-1-3-5-8/h1-5,14-15H,6-7H2,(H,12,13)
InChI Key:
UUQQGGWZVKUCBD-UHFFFAOYSA-N
SMILES:
OCc1[nH]c(nc1CO)c1ccccc1
EC Number:
262-911-1
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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