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Home > Other Heterocycles > 1956426-43-9
1956426-43-9 | tert-Butyl (3-methyl-4-oxo-1,3,7-triazaspiro[4.4]non-1-en-2-yl)carbamate
CAS No: 1956426-43-9 Catalog No: AG01CCS6 MDL No:
Product Description
Catalog Number:
AG01CCS6
Chemical Name:
tert-Butyl (3-methyl-4-oxo-1,3,7-triazaspiro[4.4]non-1-en-2-yl)carbamate
CAS Number:
1956426-43-9
Molecular Formula:
C12H20N4O3
Molecular Weight:
268.3122
IUPAC Name:
tert-butyl N-(3-methyl-4-oxo-1,3,7-triazaspiro[4.4]non-1-en-2-yl)carbamate
InChI:
InChI=1S/C12H20N4O3/c1-11(2,3)19-10(18)14-9-15-12(5-6-13-7-12)8(17)16(9)4/h13H,5-7H2,1-4H3,(H,14,15,18)
InChI Key:
ABWJUXIOJKETDW-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1=NC2(C(=O)N1C)CNCC2
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.154g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.317g/mol
Monoisotopic Mass:
268.154g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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