Home Other Building Blocks 1-(PYRIMIDIN-5-YL)PROPAN-1-ONE

1-(PYRIMIDIN-5-YL)PROPAN-1-ONE

CAS No.:
852180-02-0
Catalog Number:
AG01DWPT
Molecular Formula:
C7H8N2O
Molecular Weight:
136.1512
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01DWPT
Chemical Name:
1-(PYRIMIDIN-5-YL)PROPAN-1-ONE
CAS Number:
852180-02-0
Molecular Formula:
C7H8N2O
Molecular Weight:
136.1512
MDL Number:
MFCD13177966
IUPAC Name:
1-pyrimidin-5-ylpropan-1-one
InChI:
InChI=1S/C7H8N2O/c1-2-7(10)6-3-8-5-9-4-6/h3-5H,2H2,1H3
InChI Key:
CKEDKCUEBHHQII-UHFFFAOYSA-N
SMILES:
CCC(=O)c1cncnc1
Properties
Complexity:
119  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.064g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.154g/mol
Monoisotopic Mass:
136.064g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties