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139059-79-3 | 2-Selenabicyclo[2.2.2]oct-5-ene-3,3-dicarboxylic acid, 3,3-diethyl ester
CAS No: 139059-79-3 Catalog No: AG001A37 MDL No:
Product Description
Catalog Number:
AG001A37
Chemical Name:
2-Selenabicyclo[2.2.2]oct-5-ene-3,3-dicarboxylic acid, 3,3-diethyl ester
CAS Number:
139059-79-3
Molecular Formula:
C13H18O4Se
Molecular Weight:
317.2396
IUPAC Name:
diethyl 2-selenabicyclo[2.2.2]oct-5-ene-3,3-dicarboxylate
InChI:
InChI=1S/C13H18O4Se/c1-3-16-11(14)13(12(15)17-4-2)9-5-7-10(18-13)8-6-9/h5,7,9-10H,3-4,6,8H2,1-2H3
InChI Key:
JQVIBQQLMJFNLE-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1([Se]C2CCC1C=C2)C(=O)OCC
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.037g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.254g/mol
Monoisotopic Mass:
318.037g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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