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639091-75-1 | Methyl 2-((tert-butoxycarbonyl);amino);isonicotinate
CAS No: 639091-75-1 Catalog No: AG003RL1 MDL No:MFCD11504796
Product Description
Catalog Number:
AG003RL1
Chemical Name:
Methyl 2-((tert-butoxycarbonyl);amino);isonicotinate
CAS Number:
639091-75-1
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
MDL Number:
MFCD11504796
IUPAC Name:
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylate
InChI:
InChI=1S/C12H16N2O4/c1-12(2,3)18-11(16)14-9-7-8(5-6-13-9)10(15)17-4/h5-7H,1-4H3,(H,13,14,16)
InChI Key:
TZCLGBJFBGZAQO-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccnc(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:
1.5
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