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Home > Other Heterocycles > 114290-69-6
114290-69-6 | Hexanedioic acid, 1-(7-oxabicyclo[4.1.0]hept-3-yl) 6-(7-oxabicyclo[4.1.0]hept-3-ylmethyl) ester
CAS No: 114290-69-6 Catalog No: AG000AZ9 MDL No:
Product Description
Catalog Number:
AG000AZ9
Chemical Name:
Hexanedioic acid, 1-(7-oxabicyclo[4.1.0]hept-3-yl) 6-(7-oxabicyclo[4.1.0]hept-3-ylmethyl) ester
CAS Number:
114290-69-6
Molecular Formula:
C19H28O6
Molecular Weight:
352.4220
IUPAC Name:
6-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methoxy]-6-oxohexanoate
InChI:
InChI=1S/C19H28O6/c20-17(21)3-1-2-4-18(22)25-19(11-5-7-13-15(9-11)23-13)12-6-8-14-16(10-12)24-14/h11-16,19H,1-10H2,(H,20,21)/p-1
InChI Key:
DZBMSOKSPONETB-UHFFFAOYSA-M
SMILES:
O=C(OCC1CCC2C(C1)O2)CCCCC(=O)OC1CCC2C(C1)O2
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.181g/mol
Formal Charge:
-1
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.419g/mol
Monoisotopic Mass:
351.181g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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