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84836-32-8 | 1-Butanone,2-ethyl-1-(4-methoxyphenyl)-
CAS No: 84836-32-8 Catalog No: AG004WP5 MDL No:
Product Description
Catalog Number:
AG004WP5
Chemical Name:
1-Butanone,2-ethyl-1-(4-methoxyphenyl)-
CAS Number:
84836-32-8
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
IUPAC Name:
2-ethyl-1-(4-methoxyphenyl)butan-1-one
InChI:
InChI=1S/C13H18O2/c1-4-10(5-2)13(14)11-6-8-12(15-3)9-7-11/h6-10H,4-5H2,1-3H3
InChI Key:
CUSGBLIMZVLLIE-UHFFFAOYSA-N
SMILES:
CCC(C(=O)c1ccc(cc1)OC)CC
NSC Number:
57535
Properties
Complexity:
189
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:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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