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198555-41-8 | Methanone, (5-ethyl-2,6-dimethoxy-4-pyrimidinyl)phenyl-
CAS No: 198555-41-8 Catalog No: AG002BLQ MDL No:
Product Description
Catalog Number:
AG002BLQ
Chemical Name:
Methanone, (5-ethyl-2,6-dimethoxy-4-pyrimidinyl)phenyl-
CAS Number:
198555-41-8
Molecular Formula:
C15H16N2O3
Molecular Weight:
272.2991
IUPAC Name:
(5-ethyl-2,6-dimethoxypyrimidin-4-yl)-phenylmethanone
InChI:
InChI=1S/C15H16N2O3/c1-4-11-12(13(18)10-8-6-5-7-9-10)16-15(20-3)17-14(11)19-2/h5-9H,4H2,1-3H3
InChI Key:
LAKYXPFGTZCQTL-UHFFFAOYSA-N
SMILES:
COc1nc(OC)c(c(n1)C(=O)c1ccccc1)CC
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.304g/mol
Monoisotopic Mass:
272.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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