Home Carboxys 5-Phenylisoxazole-4-carboxylic acid

5-Phenylisoxazole-4-carboxylic acid

CAS No.:
76344-95-1
Catalog Number:
AG005DZ3
Molecular Formula:
C10H7NO3
Molecular Weight:
189.1675
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$226
- +
5g
95%
In Stock USA
United States
$671
- +
Product Description
Catalog Number:
AG005DZ3
Chemical Name:
5-Phenylisoxazole-4-carboxylic acid
CAS Number:
76344-95-1
Molecular Formula:
C10H7NO3
Molecular Weight:
189.1675
MDL Number:
MFCD05865189
IUPAC Name:
5-phenyl-1,2-oxazole-4-carboxylic acid
InChI:
InChI=1S/C10H7NO3/c12-10(13)8-6-11-14-9(8)7-4-2-1-3-5-7/h1-6H,(H,12,13)
InChI Key:
VUVDFZMYJYNLCH-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnoc1c1ccccc1
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.043g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
189.17g/mol
Monoisotopic Mass:
189.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties