Home Carboxys 3-Cyclohexylisoxazole-5-carboxylic acid

3-Cyclohexylisoxazole-5-carboxylic acid

CAS No.:
876716-46-0
Catalog Number:
AG00GVY3
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00GVY3
Chemical Name:
3-Cyclohexylisoxazole-5-carboxylic acid
CAS Number:
876716-46-0
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
MDL Number:
MFCD07643234
IUPAC Name:
3-cyclohexyl-1,2-oxazole-5-carboxylic acid
InChI:
InChI=1S/C10H13NO3/c12-10(13)9-6-8(11-14-9)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,12,13)
InChI Key:
NWLZQPLTGHCFHG-UHFFFAOYSA-N
SMILES:
OC(=O)c1onc(c1)C1CCCCC1
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.09g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
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