Home Carboxys 3-Propylisoxazole-5-carboxylic acid

3-Propylisoxazole-5-carboxylic acid

CAS No.:
14716-92-8
Catalog Number:
AG001EOD
Molecular Formula:
C7H9NO3
Molecular Weight:
155.1513
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$1136
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Product Description
Catalog Number:
AG001EOD
Chemical Name:
3-Propylisoxazole-5-carboxylic acid
CAS Number:
14716-92-8
Molecular Formula:
C7H9NO3
Molecular Weight:
155.1513
MDL Number:
MFCD09701733
IUPAC Name:
3-propyl-1,2-oxazole-5-carboxylic acid
InChI:
InChI=1S/C7H9NO3/c1-2-3-5-4-6(7(9)10)11-8-5/h4H,2-3H2,1H3,(H,9,10)
InChI Key:
JHEZCMNYXDKGTQ-UHFFFAOYSA-N
SMILES:
CCCc1cc(on1)C(=O)O
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.058g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
155.153g/mol
Monoisotopic Mass:
155.058g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties