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125736-17-6 | 9-Azabicyclo[4.2.1]non-2-ene-9-carboxylic acid, 2-[(methoxyamino)carbonyl]-, 1,1-dimethylethyl ester, (1R)- (9CI)
CAS No: 125736-17-6 Catalog No: AG000OKU MDL No:
Product Description
Catalog Number:
AG000OKU
Chemical Name:
9-Azabicyclo[4.2.1]non-2-ene-9-carboxylic acid, 2-[(methoxyamino)carbonyl]-, 1,1-dimethylethyl ester, (1R)- (9CI)
CAS Number:
125736-17-6
Molecular Formula:
C15H24N2O4
Molecular Weight:
296.3621
IUPAC Name:
tert-butyl (1R)-2-(methoxycarbamoyl)-9-azabicyclo[4.2.1]non-2-ene-9-carboxylate
InChI:
InChI=1S/C15H24N2O4/c1-15(2,3)21-14(19)17-10-6-5-7-11(12(17)9-8-10)13(18)16-20-4/h7,10,12H,5-6,8-9H2,1-4H3,(H,16,18)/t10?,12-/m1/s1
InChI Key:
HBQCGZICFCVGDX-TVKKRMFBSA-N
SMILES:
CONC(=O)C1=CCCC2N([C@@H]1CC2)C(=O)OC(C)(C)C
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
296.174g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.367g/mol
Monoisotopic Mass:
296.174g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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