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177759-80-7

177759-80-7 | 2-Pyrazinecarboxylic acid, 5-[[(1,1-dimethylethoxy)carbonyl]amino]-, ethyl ester

CAS No: 177759-80-7 Catalog No: AG0025IM MDL No:

Product Description

Catalog Number:
AG0025IM
Chemical Name:
2-Pyrazinecarboxylic acid, 5-[[(1,1-dimethylethoxy)carbonyl]amino]-, ethyl ester
CAS Number:
177759-80-7
Molecular Formula:
C12H17N3O4
Molecular Weight:
267.2811
IUPAC Name:
ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylate
InChI:
InChI=1S/C12H17N3O4/c1-5-18-10(16)8-6-14-9(7-13-8)15-11(17)19-12(2,3)4/h6-7H,5H2,1-4H3,(H,14,15,17)
InChI Key:
DZUVLNADVSNZHC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ncc(nc1)NC(=O)OC(C)(C)C

Properties

Complexity:
327  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.122g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
267.285g/mol
Monoisotopic Mass:
267.122g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

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