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86528-15-6 | 1,3-Butadiene, 1,4-bis(1,1-dimethylethoxy)-, (E,Z)-
CAS No: 86528-15-6 Catalog No: AG004V7A MDL No:
Product Description
Catalog Number:
AG004V7A
Chemical Name:
1,3-Butadiene, 1,4-bis(1,1-dimethylethoxy)-, (E,Z)-
CAS Number:
86528-15-6
Molecular Formula:
C12H22O2
Molecular Weight:
198.3019
IUPAC Name:
1,4-bis[(2-methylpropan-2-yl)oxy]buta-1,3-diene
InChI:
InChI=1S/C12H22O2/c1-11(2,3)13-9-7-8-10-14-12(4,5)6/h7-10H,1-6H3
InChI Key:
WUWGWKUDZRXHDN-UHFFFAOYSA-N
SMILES:
CC(O/C=C\C=C\OC(C)(C)C)(C)C
Properties
Complexity:
177
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:
5
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.1
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