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Home > Other Heterocycles > 13681-74-8
13681-74-8 | Hexanedioic acid, 1,6-bis(4-methyl-7-oxabicyclo[4.1.0]hept-3-yl) ester
CAS No: 13681-74-8 Catalog No: AG0012EG MDL No:
Product Description
Catalog Number:
AG0012EG
Chemical Name:
Hexanedioic acid, 1,6-bis(4-methyl-7-oxabicyclo[4.1.0]hept-3-yl) ester
CAS Number:
13681-74-8
Molecular Formula:
C20H30O6
Molecular Weight:
366.4486
IUPAC Name:
bis(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl) hexanedioate
InChI:
InChI=1S/C20H30O6/c1-11-7-15-17(23-15)9-13(11)25-19(21)5-3-4-6-20(22)26-14-10-18-16(24-18)8-12(14)2/h11-18H,3-10H2,1-2H3
InChI Key:
GLROGUSVUGSGPO-UHFFFAOYSA-N
SMILES:
CC1CC2OC2CC1OC(=O)CCCCC(=O)OC1CC2OC2CC1C
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.204g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.454g/mol
Monoisotopic Mass:
366.204g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
8
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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