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24806-16-4 | Benzene, 1-(1,1-dimethylethyl)-4-(2-propen-1-yloxy)-
CAS No: 24806-16-4 Catalog No: AG002PHY MDL No:
Product Description
Catalog Number:
AG002PHY
Chemical Name:
Benzene, 1-(1,1-dimethylethyl)-4-(2-propen-1-yloxy)-
CAS Number:
24806-16-4
Molecular Formula:
C13H18O
Molecular Weight:
190.2814
IUPAC Name:
1-tert-butyl-4-prop-2-enoxybenzene
InChI:
InChI=1S/C13H18O/c1-5-10-14-12-8-6-11(7-9-12)13(2,3)4/h5-9H,1,10H2,2-4H3
InChI Key:
VIPLXOQHKFBWES-UHFFFAOYSA-N
SMILES:
C=CCOc1ccc(cc1)C(C)(C)C
Properties
Complexity:
170
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:
4.2
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