Home Carboxys 3-Isobutylisoxazole-5-carboxylic acid

3-Isobutylisoxazole-5-carboxylic acid

CAS No.:
910321-93-6
Catalog Number:
AG00GTSG
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$226
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Product Description
Catalog Number:
AG00GTSG
Chemical Name:
3-Isobutylisoxazole-5-carboxylic acid
CAS Number:
910321-93-6
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
MDL Number:
MFCD08059886
IUPAC Name:
3-(2-methylpropyl)-1,2-oxazole-5-carboxylic acid
InChI:
InChI=1S/C8H11NO3/c1-5(2)3-6-4-7(8(10)11)12-9-6/h4-5H,3H2,1-2H3,(H,10,11)
InChI Key:
RMWIOKNXSJKWNK-UHFFFAOYSA-N
SMILES:
CC(Cc1noc(c1)C(=O)O)C
Properties
Complexity:
170  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties