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126278-69-1 | 2-Propanone, 1-(4-ethoxy-3-methoxyphenyl)-
CAS No: 126278-69-1 Catalog No: AG000SH4 MDL No:
Product Description
Catalog Number:
AG000SH4
Chemical Name:
2-Propanone, 1-(4-ethoxy-3-methoxyphenyl)-
CAS Number:
126278-69-1
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
IUPAC Name:
1-(4-ethoxy-3-methoxyphenyl)propan-2-one
InChI:
InChI=1S/C12H16O3/c1-4-15-11-6-5-10(7-9(2)13)8-12(11)14-3/h5-6,8H,4,7H2,1-3H3
InChI Key:
ADHCSWSBGUURFV-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1OC)CC(=O)C
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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