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844886-75-5 | 1,2-Dioxin, 3-heptyl-3,6-dihydro-
CAS No: 844886-75-5 Catalog No: AG0054QS MDL No:
Product Description
Catalog Number:
AG0054QS
Chemical Name:
1,2-Dioxin, 3-heptyl-3,6-dihydro-
CAS Number:
844886-75-5
Molecular Formula:
C11H20O2
Molecular Weight:
184.2753
IUPAC Name:
3-heptyl-3,6-dihydro-1,2-dioxine
InChI:
InChI=1S/C11H20O2/c1-2-3-4-5-6-8-11-9-7-10-12-13-11/h7,9,11H,2-6,8,10H2,1H3
InChI Key:
PHCMLVHAXWXEKH-UHFFFAOYSA-N
SMILES:
CCCCCCCC1OOCC=C1
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.146g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.279g/mol
Monoisotopic Mass:
184.146g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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