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Home > Other Heterocycles > 80484-31-7
80484-31-7 | Butanedioic acid, [2-(acetyloxy)bicyclo[2.2.1]hept-2-yl]-, diethyl ester
CAS No: 80484-31-7 Catalog No: AG0059MI MDL No:
Product Description
Catalog Number:
AG0059MI
Chemical Name:
Butanedioic acid, [2-(acetyloxy)bicyclo[2.2.1]hept-2-yl]-, diethyl ester
CAS Number:
80484-31-7
Molecular Formula:
C17H26O6
Molecular Weight:
326.3847
IUPAC Name:
diethyl 2-(2-acetyloxy-2-bicyclo[2.2.1]heptanyl)butanedioate
InChI:
InChI=1S/C17H26O6/c1-4-21-15(19)9-14(16(20)22-5-2)17(23-11(3)18)10-12-6-7-13(17)8-12/h12-14H,4-10H2,1-3H3
InChI Key:
FOTVVAGHXDHFBW-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(C1(CC2CC1CC2)OC(=O)C)C(=O)OCC
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.173g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.389g/mol
Monoisotopic Mass:
326.173g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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