Home Other Building Blocks 1-(5-methylpyrimidin-4-yl)ethan-1-one

1-(5-methylpyrimidin-4-yl)ethan-1-one

CAS No.:
932738-65-3
Catalog Number:
AG0064LK
Molecular Formula:
C7H8N2O
Molecular Weight:
136.1512
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Product Description
Catalog Number:
AG0064LK
Chemical Name:
1-(5-methylpyrimidin-4-yl)ethan-1-one
CAS Number:
932738-65-3
Molecular Formula:
C7H8N2O
Molecular Weight:
136.1512
MDL Number:
MFCD23135260
IUPAC Name:
1-(5-methylpyrimidin-4-yl)ethanone
InChI:
InChI=1S/C7H8N2O/c1-5-3-8-4-9-7(5)6(2)10/h3-4H,1-2H3
InChI Key:
AUPRPAWYCBJUMZ-UHFFFAOYSA-N
SMILES:
CC(=O)c1ncncc1C
Properties
Complexity:
136  
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:
1  
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties