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Home > Imidazoles > 33457-48-6
33457-48-6 | (1H-Imidazole-4,5-diyl);dimethanol
CAS No: 33457-48-6 Catalog No: AG003BFI MDL No:MFCD00191661
Product Description
Catalog Number:
AG003BFI
Chemical Name:
(1H-Imidazole-4,5-diyl);dimethanol
CAS Number:
33457-48-6
Molecular Formula:
C5H8N2O2
Molecular Weight:
128.1292
MDL Number:
MFCD00191661
IUPAC Name:
[4-(hydroxymethyl)-1H-imidazol-5-yl]methanol
InChI:
InChI=1S/C5H8N2O2/c8-1-4-5(2-9)7-3-6-4/h3,8-9H,1-2H2,(H,6,7)
InChI Key:
AGJXDKGTTMVHOU-UHFFFAOYSA-N
SMILES:
OCc1[nH]cnc1CO
Properties
Complexity:
89
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.059g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
128.131g/mol
Monoisotopic Mass:
128.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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