Home Other Building Blocks 2-METHYL-2-PHENYL-CYCLOHEXANONE

2-METHYL-2-PHENYL-CYCLOHEXANONE

CAS No.:
17206-54-1
Catalog Number:
AG00AOX3
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
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Product Description
Catalog Number:
AG00AOX3
Chemical Name:
2-METHYL-2-PHENYL-CYCLOHEXANONE
CAS Number:
17206-54-1
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
IUPAC Name:
2-methyl-2-phenylcyclohexan-1-one
InChI:
InChI=1S/C13H16O/c1-13(10-6-5-9-12(13)14)11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3
InChI Key:
NKJLGNHULJVJGL-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1(C)c1ccccc1
NSC Number:
409889
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.12g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.27g/mol
Monoisotopic Mass:
188.12g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties