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Home > Imidazoles > 77671-30-8
77671-30-8 | 2H-Imidazol-2-one, 1,3-dihydro-4-(4-hydroxybenzoyl)-5-methyl-
CAS No: 77671-30-8 Catalog No: AG008OMD MDL No:
Product Description
Catalog Number:
AG008OMD
Chemical Name:
2H-Imidazol-2-one, 1,3-dihydro-4-(4-hydroxybenzoyl)-5-methyl-
CAS Number:
77671-30-8
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
IUPAC Name:
4-(4-hydroxybenzoyl)-5-methyl-1,3-dihydroimidazol-2-one
InChI:
InChI=1S/C11H10N2O3/c1-6-9(13-11(16)12-6)10(15)7-2-4-8(14)5-3-7/h2-5,14H,1H3,(H2,12,13,16)
InChI Key:
JTFOBZVBRCBPKD-UHFFFAOYSA-N
SMILES:
O=C(c1[nH]c(=O)[nH]c1C)c1ccc(cc1)O
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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