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1393547-32-4 | Ethanone, 1-(2-methoxy-4-pyrimidinyl)-
CAS No: 1393547-32-4 Catalog No: AG001ATG MDL No:
Product Description
Catalog Number:
AG001ATG
Chemical Name:
Ethanone, 1-(2-methoxy-4-pyrimidinyl)-
CAS Number:
1393547-32-4
Molecular Formula:
C7H8N2O2
Molecular Weight:
152.1506
IUPAC Name:
1-(2-methoxypyrimidin-4-yl)ethanone
InChI:
InChI=1S/C7H8N2O2/c1-5(10)6-3-4-8-7(9-6)11-2/h3-4H,1-2H3
InChI Key:
ZIHUTIHCBGJDDU-UHFFFAOYSA-N
SMILES:
COc1nccc(n1)C(=O)C
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.059g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.153g/mol
Monoisotopic Mass:
152.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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