Home Carboxys 8-Azabicyclo[3.2.1]oct-2-ene-3,8-dicarboxylic acid, 8-(1,1-dimethylethyl) ester

8-Azabicyclo[3.2.1]oct-2-ene-3,8-dicarboxylic acid, 8-(1,1-dimethylethyl) ester

CAS No.:
1204809-89-1
Catalog Number:
AG00810J
Molecular Formula:
C13H18NO4-
Molecular Weight:
252.2863
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Product Description
Catalog Number:
AG00810J
Chemical Name:
8-Azabicyclo[3.2.1]oct-2-ene-3,8-dicarboxylic acid, 8-(1,1-dimethylethyl) ester
CAS Number:
1204809-89-1
Molecular Formula:
C13H18NO4-
Molecular Weight:
252.2863
MDL Number:
MFCD28401069
IUPAC Name:
8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]oct-2-ene-3-carboxylate
InChI:
InChI=1S/C13H19NO4/c1-13(2,3)18-12(17)14-9-4-5-10(14)7-8(6-9)11(15)16/h6,9-10H,4-5,7H2,1-3H3,(H,15,16)/p-1
InChI Key:
FDEKZKWYTOTCTN-UHFFFAOYSA-M
SMILES:
O=C(N1C2CCC1C=C(C2)C(=O)[O-])OC(C)(C)C
Properties
Complexity:
402  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.124g/mol
Formal Charge:
-1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.29g/mol
Monoisotopic Mass:
252.124g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties