200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 77698-16-9
77698-16-9 | 2H-Imidazol-2-one, 1,3-dihydro-5-(4-methoxybenzoyl)-1,4-dimethyl-
CAS No: 77698-16-9 Catalog No: AG008OM2 MDL No:
Product Description
Catalog Number:
AG008OM2
Chemical Name:
2H-Imidazol-2-one, 1,3-dihydro-5-(4-methoxybenzoyl)-1,4-dimethyl-
CAS Number:
77698-16-9
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
IUPAC Name:
4-(4-methoxybenzoyl)-3,5-dimethyl-1H-imidazol-2-one
InChI:
InChI=1S/C13H14N2O3/c1-8-11(15(2)13(17)14-8)12(16)9-4-6-10(18-3)7-5-9/h4-7H,1-3H3,(H,14,17)
InChI Key:
VFRJMWYSNIKRAG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)c1c(C)[nH]c(=O)n1C
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.266g/mol
Monoisotopic Mass:
246.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.