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18272-92-9 | Benzene, 1-ethoxy-4-(3-methyl-3-buten-1-yl)-
CAS No: 18272-92-9 Catalog No: AG002445 MDL No:
Product Description
Catalog Number:
AG002445
Chemical Name:
Benzene, 1-ethoxy-4-(3-methyl-3-buten-1-yl)-
CAS Number:
18272-92-9
Molecular Formula:
C13H18O
Molecular Weight:
190.2814
IUPAC Name:
1-ethoxy-4-(3-methylbut-3-enyl)benzene
InChI:
InChI=1S/C13H18O/c1-4-14-13-9-7-12(8-10-13)6-5-11(2)3/h7-10H,2,4-6H2,1,3H3
InChI Key:
HDUAUKYTEMHROF-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)CCC(=C)C
Properties
Complexity:
166
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:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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