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89393-17-9 | 2,4-Hexadiene, 1-(1-butoxyethoxy)-
CAS No: 89393-17-9 Catalog No: AG003WCK MDL No:
Product Description
Catalog Number:
AG003WCK
Chemical Name:
2,4-Hexadiene, 1-(1-butoxyethoxy)-
CAS Number:
89393-17-9
Molecular Formula:
C12H22O2
Molecular Weight:
198.3019
IUPAC Name:
1-(1-butoxyethoxy)hexa-2,4-diene
InChI:
InChI=1S/C12H22O2/c1-4-6-8-9-11-14-12(3)13-10-7-5-2/h4,6,8-9,12H,5,7,10-11H2,1-3H3
InChI Key:
ZCYVABZFWDUIQB-UHFFFAOYSA-N
SMILES:
CCCCOC(OCC=CC=CC)C
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.162g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.306g/mol
Monoisotopic Mass:
198.162g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
2
XLogP3:
3.2
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