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Home > Other Heterocycles > 681855-87-8
681855-87-8 | 3,4,7-Trioxabicyclo[4.1.0]heptane, 1-hexyl-
CAS No: 681855-87-8 Catalog No: AG005YLX MDL No:
Product Description
Catalog Number:
AG005YLX
Chemical Name:
3,4,7-Trioxabicyclo[4.1.0]heptane, 1-hexyl-
CAS Number:
681855-87-8
Molecular Formula:
C10H18O3
Molecular Weight:
186.2481
IUPAC Name:
1-hexyl-3,4,7-trioxabicyclo[4.1.0]heptane
InChI:
InChI=1S/C10H18O3/c1-2-3-4-5-6-10-8-12-11-7-9(10)13-10/h9H,2-8H2,1H3
InChI Key:
KNZCXZVYHJACPH-UHFFFAOYSA-N
SMILES:
CCCCCCC12COOCC2O1
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.251g/mol
Monoisotopic Mass:
186.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
31A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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