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25226-98-6 | Benzene, [(1E)-3,3-diethoxy-1-propen-1-yl]-
CAS No: 25226-98-6 Catalog No: AG002QZD MDL No:
Product Description
Catalog Number:
AG002QZD
Chemical Name:
Benzene, [(1E)-3,3-diethoxy-1-propen-1-yl]-
CAS Number:
25226-98-6
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
IUPAC Name:
3,3-diethoxyprop-1-enylbenzene
InChI:
InChI=1S/C13H18O2/c1-3-14-13(15-4-2)11-10-12-8-6-5-7-9-12/h5-11,13H,3-4H2,1-2H3
InChI Key:
VYKDEWVAUWARRX-UHFFFAOYSA-N
SMILES:
CCOC(/C=C/c1ccccc1)OCC
EC Number:
246-738-9
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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