Home Carboxys 5-(4-Cyanophenyl)isoxazole-3-carboxylic acid

5-(4-Cyanophenyl)isoxazole-3-carboxylic acid

CAS No.:
1375064-45-1
Catalog Number:
AG0013DZ
Molecular Formula:
C11H6N2O3
Molecular Weight:
214.1769
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG0013DZ
Chemical Name:
5-(4-Cyanophenyl)isoxazole-3-carboxylic acid
CAS Number:
1375064-45-1
Molecular Formula:
C11H6N2O3
Molecular Weight:
214.1769
MDL Number:
MFCD22192327
IUPAC Name:
5-(4-cyanophenyl)-1,2-oxazole-3-carboxylic acid
InChI:
InChI=1S/C11H6N2O3/c12-6-7-1-3-8(4-2-7)10-5-9(11(14)15)13-16-10/h1-5H,(H,14,15)
InChI Key:
PDHRXDLHPHLFEX-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1onc(c1)C(=O)O
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.038g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
214.18g/mol
Monoisotopic Mass:
214.038g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties