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2060060-99-1 | 1-benzyl-4-(hydroxymethyl)-3-methyl-2,3-dihydro-1H-imidazol-2-one
CAS No: 2060060-99-1 Catalog No: AG01BPS1 MDL No:MFCD30500566
Product Description
Catalog Number:
AG01BPS1
Chemical Name:
1-benzyl-4-(hydroxymethyl)-3-methyl-2,3-dihydro-1H-imidazol-2-one
CAS Number:
2060060-99-1
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
MDL Number:
MFCD30500566
IUPAC Name:
1-benzyl-4-(hydroxymethyl)-3-methylimidazol-2-one
InChI:
InChI=1S/C12H14N2O2/c1-13-11(9-15)8-14(12(13)16)7-10-5-3-2-4-6-10/h2-6,8,15H,7,9H2,1H3
InChI Key:
QVFGJKAXFIQQJY-UHFFFAOYSA-N
SMILES:
OCc1cn(c(=O)n1C)Cc1ccccc1
Properties
Complexity:
295
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:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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