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896447-13-5 | HEXANAL HEXYL ISOAMYL ACETAL
CAS No: 896447-13-5 Catalog No: AG003VKR MDL No:
Product Description
Catalog Number:
AG003VKR
Chemical Name:
HEXANAL HEXYL ISOAMYL ACETAL
CAS Number:
896447-13-5
Molecular Formula:
C17H36O2
Molecular Weight:
272.4665
IUPAC Name:
1-hexoxy-1-(3-methylbutoxy)hexane
InChI:
InChI=1S/C17H36O2/c1-5-7-9-11-14-18-17(12-10-8-6-2)19-15-13-16(3)4/h16-17H,5-15H2,1-4H3
InChI Key:
BFNIPPNBSJGEQI-UHFFFAOYSA-N
SMILES:
CCCCCCOC(OCCC(C)C)CCCCC
FEMA Number:
4369
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.272g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.473g/mol
Monoisotopic Mass:
272.272g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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