Home Carboxys 3-(butan-2-yl)-1,2-oxazole-5-carboxylic acid

3-(butan-2-yl)-1,2-oxazole-5-carboxylic acid

CAS No.:
910321-99-2
Catalog Number:
AG01AKR7
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01AKR7
Chemical Name:
3-(butan-2-yl)-1,2-oxazole-5-carboxylic acid
CAS Number:
910321-99-2
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
MDL Number:
MFCD16706798
IUPAC Name:
3-butan-2-yl-1,2-oxazole-5-carboxylic acid
InChI:
InChI=1S/C8H11NO3/c1-3-5(2)6-4-7(8(10)11)12-9-6/h4-5H,3H2,1-2H3,(H,10,11)
InChI Key:
XNHGJVDXVQTJQZ-UHFFFAOYSA-N
SMILES:
CC(c1cc(on1)C(=O)O)CC
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.074g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
169.18g/mol
Monoisotopic Mass:
169.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties