Home Other Building Blocks 3-(pyrazin-2-yloxy)benzoic acid

3-(pyrazin-2-yloxy)benzoic acid

CAS No.:
1250986-82-3
Catalog Number:
AG01AJBE
Molecular Formula:
C11H8N2O3
Molecular Weight:
216.1928
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Product Description
Catalog Number:
AG01AJBE
Chemical Name:
3-(pyrazin-2-yloxy)benzoic acid
CAS Number:
1250986-82-3
Molecular Formula:
C11H8N2O3
Molecular Weight:
216.1928
MDL Number:
MFCD14695256
IUPAC Name:
3-pyrazin-2-yloxybenzoic acid
InChI:
InChI=1S/C11H8N2O3/c14-11(15)8-2-1-3-9(6-8)16-10-7-12-4-5-13-10/h1-7H,(H,14,15)
InChI Key:
WGJMHXFXZDFTOP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)Oc1cnccn1
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.053g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.196g/mol
Monoisotopic Mass:
216.053g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties