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Home Carbonyls Methyl 5-((tert-butoxycarbonyl)aMino)nicotinate

Methyl 5-((tert-butoxycarbonyl)aMino)nicotinate

CAS No.:
168618-38-0
Catalog Number:
AG00B9WN
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
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Product Description
Catalog Number:
AG00B9WN
Chemical Name:
Methyl 5-((tert-butoxycarbonyl)aMino)nicotinate
CAS Number:
168618-38-0
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
MDL Number:
MFCD12026421
IUPAC Name:
methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
InChI:
InChI=1S/C12H16N2O4/c1-12(2,3)18-11(16)14-9-5-8(6-13-7-9)10(15)17-4/h5-7H,1-4H3,(H,14,16)
InChI Key:
DWQMWYMMDOSOEP-UHFFFAOYSA-N
SMILES:
COC(=O)c1cncc(c1)NC(=O)OC(C)(C)C
Properties
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.111g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.27g/mol
Monoisotopic Mass:
252.111g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
77.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties