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

3-(3-cyanophenyl)-1,2-oxazole-5-carboxylic acid

CAS No.:
1152531-77-5
Catalog Number:
AG01AAES
Molecular Formula:
C11H6N2O3
Molecular Weight:
214.1769
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Product Description
Catalog Number:
AG01AAES
Chemical Name:
3-(3-cyanophenyl)-1,2-oxazole-5-carboxylic acid
CAS Number:
1152531-77-5
Molecular Formula:
C11H6N2O3
Molecular Weight:
214.1769
MDL Number:
MFCD10694133
IUPAC Name:
3-(3-cyanophenyl)-1,2-oxazole-5-carboxylic acid
InChI:
InChI=1S/C11H6N2O3/c12-6-7-2-1-3-8(4-7)9-5-10(11(14)15)16-13-9/h1-5H,(H,14,15)
InChI Key:
TZDONYAQYVKDDH-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)c1noc(c1)C(=O)O
Properties
Complexity:
322  
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:
1.6  
Properties