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26272-67-3 | Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 2,3-diethyl ester, (1S,2S,3S,4R)-rel-
CAS No: 26272-67-3 Catalog No: AG002SK2 MDL No:
Product Description
Catalog Number:
AG002SK2
Chemical Name:
Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 2,3-diethyl ester, (1S,2S,3S,4R)-rel-
CAS Number:
26272-67-3
Molecular Formula:
C13H18O4
Molecular Weight:
238.2796
IUPAC Name:
diethyl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
InChI:
InChI=1S/C13H18O4/c1-3-16-12(14)10-8-5-6-9(7-8)11(10)13(15)17-4-2/h5-6,8-11H,3-4,7H2,1-2H3
InChI Key:
UXRMRBNLTQHPEU-UHFFFAOYSA-N
SMILES:
CCOC(=O)[C@H]1[C@@H]2C=C[C@H]([C@@H]1C(=O)OCC)C2
NSC Number:
69976
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.283g/mol
Monoisotopic Mass:
238.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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