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13051-18-8 | 2,3-Diazabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, 2,3-bis(1,1-dimethylethyl) ester
CAS No: 13051-18-8 Catalog No: AG000UJ9 MDL No:MFCD24467693
Product Description
Catalog Number:
AG000UJ9
Chemical Name:
2,3-Diazabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, 2,3-bis(1,1-dimethylethyl) ester
CAS Number:
13051-18-8
Molecular Formula:
C15H26N2O4
Molecular Weight:
298.3779
MDL Number:
MFCD24467693
IUPAC Name:
ditert-butyl 2,3-diazabicyclo[2.2.1]heptane-2,3-dicarboxylate
InChI:
InChI=1S/C15H26N2O4/c1-14(2,3)20-12(18)16-10-7-8-11(9-10)17(16)13(19)21-15(4,5)6/h10-11H,7-9H2,1-6H3
InChI Key:
SLXZBEQDMMMGJS-UHFFFAOYSA-N
SMILES:
O=C(N1C2CCC(N1C(=O)OC(C)(C)C)C2)OC(C)(C)C
NSC Number:
109898
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.189g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.383g/mol
Monoisotopic Mass:
298.189g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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