Home Carboxys 3-amino-6-phenylpyrazine-2-carboxylic acid

3-amino-6-phenylpyrazine-2-carboxylic acid

CAS No.:
84066-21-7
Catalog Number:
AG01DTTN
Molecular Formula:
C11H9N3O2
Molecular Weight:
215.2081
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Product Description
Catalog Number:
AG01DTTN
Chemical Name:
3-amino-6-phenylpyrazine-2-carboxylic acid
CAS Number:
84066-21-7
Molecular Formula:
C11H9N3O2
Molecular Weight:
215.2081
MDL Number:
MFCD14585356
IUPAC Name:
3-amino-6-phenylpyrazine-2-carboxylic acid
InChI:
InChI=1S/C11H9N3O2/c12-10-9(11(15)16)14-8(6-13-10)7-4-2-1-3-5-7/h1-6H,(H2,12,13)(H,15,16)
InChI Key:
AXXUKMYAQJKPMI-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc(cnc1N)c1ccccc1
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.069g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
215.212g/mol
Monoisotopic Mass:
215.069g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties