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Home > Imidazoles > 1936588-39-4
1936588-39-4 | {1-[(oxolan-3-yl)methyl]-1H-imidazol-2-yl}methanol
CAS No: 1936588-39-4 Catalog No: AG01EMQR MDL No:MFCD30203170
Product Description
Catalog Number:
AG01EMQR
Chemical Name:
{1-[(oxolan-3-yl)methyl]-1H-imidazol-2-yl}methanol
CAS Number:
1936588-39-4
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
MDL Number:
MFCD30203170
IUPAC Name:
[1-(oxolan-3-ylmethyl)imidazol-2-yl]methanol
InChI:
InChI=1S/C9H14N2O2/c12-6-9-10-2-3-11(9)5-8-1-4-13-7-8/h2-3,8,12H,1,4-7H2
InChI Key:
PULUJVBNSMDHFK-UHFFFAOYSA-N
SMILES:
OCc1nccn1CC1COCC1
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.106g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.223g/mol
Monoisotopic Mass:
182.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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