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156605-17-3 | Benzene, [1-[(1,1-dimethylethoxy)methyl]ethenyl]-
CAS No: 156605-17-3 Catalog No: AG001OUI MDL No:
Product Description
Catalog Number:
AG001OUI
Chemical Name:
Benzene, [1-[(1,1-dimethylethoxy)methyl]ethenyl]-
CAS Number:
156605-17-3
Molecular Formula:
C13H18O
Molecular Weight:
190.2814
IUPAC Name:
3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-ylbenzene
InChI:
InChI=1S/C13H18O/c1-11(10-14-13(2,3)4)12-8-6-5-7-9-12/h5-9H,1,10H2,2-4H3
InChI Key:
OLIPRRHQVQNJJX-UHFFFAOYSA-N
SMILES:
C=C(c1ccccc1)COC(C)(C)C
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.286g/mol
Monoisotopic Mass:
190.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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