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898759-89-2

898759-89-2 | 2-(3-CYANOBENZOYL)OXAZOLE

CAS No: 898759-89-2 Catalog No: AG00GWSK MDL No:

Product Description

Catalog Number:
AG00GWSK
Chemical Name:
2-(3-CYANOBENZOYL)OXAZOLE
CAS Number:
898759-89-2
IUPAC Name:
3-(1,3-oxazole-2-carbonyl)benzonitrile
InChI:
InChI=1S/C11H6N2O2/c12-7-8-2-1-3-9(6-8)10(14)11-13-4-5-15-11/h1-6H
InChI Key:
BSLKKDUMCRMAIB-UHFFFAOYSA-N

Properties

Complexity:
294  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.043g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.181g/mol
Monoisotopic Mass:
198.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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