Home Other Building Blocks 3-oxocyclohexyl benzoate

3-oxocyclohexyl benzoate

CAS No.:
62784-62-7
Catalog Number:
AG01DE0E
Molecular Formula:
C13H14O3
Molecular Weight:
218.2485
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Product Description
Catalog Number:
AG01DE0E
Chemical Name:
3-oxocyclohexyl benzoate
CAS Number:
62784-62-7
Molecular Formula:
C13H14O3
Molecular Weight:
218.2485
IUPAC Name:
(3-oxocyclohexyl) benzoate
InChI:
InChI=1S/C13H14O3/c14-11-7-4-8-12(9-11)16-13(15)10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9H2
InChI Key:
SWVSKVATFCRHJX-UHFFFAOYSA-N
SMILES:
O=C1CCCC(C1)OC(=O)c1ccccc1
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.094g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.252g/mol
Monoisotopic Mass:
218.094g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties