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Home > Imidazoles > 77681-43-7
77681-43-7 | 2H-Imidazol-2-one, 4-(3,4-dimethoxybenzoyl)-1,3-dihydro-
CAS No: 77681-43-7 Catalog No: AG005GJP MDL No:
Product Description
Catalog Number:
AG005GJP
Chemical Name:
2H-Imidazol-2-one, 4-(3,4-dimethoxybenzoyl)-1,3-dihydro-
CAS Number:
77681-43-7
Molecular Formula:
C12H12N2O4
Molecular Weight:
248.2347
IUPAC Name:
4-(3,4-dimethoxybenzoyl)-1,3-dihydroimidazol-2-one
InChI:
InChI=1S/C12H12N2O4/c1-17-9-4-3-7(5-10(9)18-2)11(15)8-6-13-12(16)14-8/h3-6H,1-2H3,(H2,13,14,16)
InChI Key:
FKQDFMWKBZPRPX-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C(=O)c1c[nH]c(=O)[nH]1
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.238g/mol
Monoisotopic Mass:
248.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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