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Home Other Building Blocks 4-Cyclohexylbenzoic acid

4-Cyclohexylbenzoic acid

CAS No.:
20029-52-1
Catalog Number:
AG002CNP
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$50
- +
5g
95%
In Stock USA
United States
$150
- +
25g
95%
In Stock USA
United States
$475
- +
Product Description
Catalog Number:
AG002CNP
Chemical Name:
4-Cyclohexylbenzoic acid
CAS Number:
20029-52-1
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
MDL Number:
MFCD00039459
IUPAC Name:
4-cyclohexylbenzoic acid
InChI:
InChI=1S/C13H16O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,14,15)
InChI Key:
QCIWHVKGVVQHIY-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)C1CCCCC1
EC Number:
243-472-5
NSC Number:
126462
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.115g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.269g/mol
Monoisotopic Mass:
204.115g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties