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141397-37-7 | 1,3-Dioxane, 4-methyl-2-nonyl-, trans- (9CI)
CAS No: 141397-37-7 Catalog No: AG001GCA MDL No:
Product Description
Catalog Number:
AG001GCA
Chemical Name:
1,3-Dioxane, 4-methyl-2-nonyl-, trans- (9CI)
CAS Number:
141397-37-7
Molecular Formula:
C14H28O2
Molecular Weight:
228.3709
IUPAC Name:
4-methyl-2-nonyl-1,3-dioxane
InChI:
InChI=1S/C14H28O2/c1-3-4-5-6-7-8-9-10-14-15-12-11-13(2)16-14/h13-14H,3-12H2,1-2H3
InChI Key:
DRHWPDCYULTYSA-UHFFFAOYSA-N
SMILES:
CCCCCCCCC[C@@H]1OCC[C@H](O1)C
NSC Number:
6664
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.209g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.376g/mol
Monoisotopic Mass:
228.209g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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