200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1245716-70-4
1245716-70-4 | 5-Pyrimidinecarboxylic acid, 4-methyl-2-(1-methylethoxy)-6-phenyl-, ethyl ester
CAS No: 1245716-70-4 Catalog No: AG000MDQ MDL No:
Product Description
Catalog Number:
AG000MDQ
Chemical Name:
5-Pyrimidinecarboxylic acid, 4-methyl-2-(1-methylethoxy)-6-phenyl-, ethyl ester
CAS Number:
1245716-70-4
Molecular Formula:
C17H20N2O3
Molecular Weight:
300.3523
IUPAC Name:
ethyl 4-methyl-6-phenyl-2-propan-2-yloxypyrimidine-5-carboxylate
InChI:
InChI=1S/C17H20N2O3/c1-5-21-16(20)14-12(4)18-17(22-11(2)3)19-15(14)13-9-7-6-8-10-13/h6-11H,5H2,1-4H3
InChI Key:
CDQWBNUUAFDHTI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)nc(nc1c1ccccc1)OC(C)C
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.147g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.358g/mol
Monoisotopic Mass:
300.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
61.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.