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125736-10-9 | 9-Azabicyclo[4.2.1]non-2-ene-2,9-dicarboxylic acid, 9-(1,1-dimethylethyl) 2-methyl ester
CAS No: 125736-10-9 Catalog No: AG000OKY MDL No:
Product Description
Catalog Number:
AG000OKY
Chemical Name:
9-Azabicyclo[4.2.1]non-2-ene-2,9-dicarboxylic acid, 9-(1,1-dimethylethyl) 2-methyl ester
CAS Number:
125736-10-9
Molecular Formula:
C15H23NO4
Molecular Weight:
281.3474
IUPAC Name:
2-O-tert-butyl 9-O-methyl 9-azabicyclo[4.2.1]non-2-ene-2,9-dicarboxylate
InChI:
InChI=1S/C15H23NO4/c1-15(2,3)20-13(17)11-7-5-6-10-8-9-12(11)16(10)14(18)19-4/h7,10,12H,5-6,8-9H2,1-4H3
InChI Key:
OVUYNBVUUNVCOR-UHFFFAOYSA-N
SMILES:
COC(=O)C1=CCCC2N(C1CC2)C(=O)OC(C)(C)C
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.163g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.352g/mol
Monoisotopic Mass:
281.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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