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76569-40-9 | 1-Butanone, 1-(2,4,6-trimethoxyphenyl)-
CAS No: 76569-40-9 Catalog No: AG005KGS MDL No:
Product Description
Catalog Number:
AG005KGS
Chemical Name:
1-Butanone, 1-(2,4,6-trimethoxyphenyl)-
CAS Number:
76569-40-9
Molecular Formula:
C13H18O4
Molecular Weight:
238.2796
IUPAC Name:
1-(2,4,6-trimethoxyphenyl)butan-1-one
InChI:
InChI=1S/C13H18O4/c1-5-6-10(14)13-11(16-3)7-9(15-2)8-12(13)17-4/h7-8H,5-6H2,1-4H3
InChI Key:
ZHULVYHYRRXJIA-UHFFFAOYSA-N
SMILES:
CCCC(=O)c1c(OC)cc(cc1OC)OC
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.283g/mol
Monoisotopic Mass:
238.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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