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Home Other Building Blocks 2-Benzoylcyclohexanone

2-Benzoylcyclohexanone

CAS No.:
3580-38-9
Catalog Number:
AG003GKX
Molecular Formula:
C13H14O2
Molecular Weight:
202.2491
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$71
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Product Description
Catalog Number:
AG003GKX
Chemical Name:
2-Benzoylcyclohexanone
CAS Number:
3580-38-9
Molecular Formula:
C13H14O2
Molecular Weight:
202.2491
MDL Number:
MFCD00524769
IUPAC Name:
2-benzoylcyclohexan-1-one
InChI:
InChI=1S/C13H14O2/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2
InChI Key:
YTVQIZRDLKWECQ-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1C(=O)c1ccccc1
EC Number:
609-179-5
NSC Number:
122581
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.099g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.253g/mol
Monoisotopic Mass:
202.099g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Configurational stability of 2-benzoylcyclohexanone: unexpected solvent effects on the rate of racemization. Chirality 20050505
Properties