Home Other Building Blocks 2-(pyrimidin-5-yl)cyclohexan-1-one

2-(pyrimidin-5-yl)cyclohexan-1-one

CAS No.:
124034-95-3
Catalog Number:
AG01BGVP
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
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Product Description
Catalog Number:
AG01BGVP
Chemical Name:
2-(pyrimidin-5-yl)cyclohexan-1-one
CAS Number:
124034-95-3
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
MDL Number:
MFCD16824640
IUPAC Name:
2-pyrimidin-5-ylcyclohexan-1-one
InChI:
InChI=1S/C10H12N2O/c13-10-4-2-1-3-9(10)8-5-11-7-12-6-8/h5-7,9H,1-4H2
InChI Key:
OETMHVJYUXROTF-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1c1cncnc1
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.095g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.219g/mol
Monoisotopic Mass:
176.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties