Home Carboxys 3-[(tert-butoxy)carbonyl]pyrazine-2-carboxylic acid

3-[(tert-butoxy)carbonyl]pyrazine-2-carboxylic acid

CAS No.:
1909324-88-4
Catalog Number:
AG01C2E7
Molecular Formula:
C10H12N2O4
Molecular Weight:
224.2133
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Product Description
Catalog Number:
AG01C2E7
Chemical Name:
3-[(tert-butoxy)carbonyl]pyrazine-2-carboxylic acid
CAS Number:
1909324-88-4
Molecular Formula:
C10H12N2O4
Molecular Weight:
224.2133
MDL Number:
MFCD29054962
IUPAC Name:
3-[(2-methylpropan-2-yl)oxycarbonyl]pyrazine-2-carboxylic acid
InChI:
InChI=1S/C10H12N2O4/c1-10(2,3)16-9(15)7-6(8(13)14)11-4-5-12-7/h4-5H,1-3H3,(H,13,14)
InChI Key:
BXEYZYHEFFQAGD-UHFFFAOYSA-N
SMILES:
O=C(c1nccnc1C(=O)O)OC(C)(C)C
Properties
Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.08g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
224.216g/mol
Monoisotopic Mass:
224.08g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties