Home Other Building Blocks 1-(4-butoxy-3-methoxyphenyl)ethan-1-one

1-(4-butoxy-3-methoxyphenyl)ethan-1-one

CAS No.:
720-81-0
Catalog Number:
AG019UY1
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
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Product Description
Catalog Number:
AG019UY1
Chemical Name:
1-(4-butoxy-3-methoxyphenyl)ethan-1-one
CAS Number:
720-81-0
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
MDL Number:
MFCD09941756
IUPAC Name:
1-(4-butoxy-3-methoxyphenyl)ethanone
InChI:
InChI=1S/C13H18O3/c1-4-5-8-16-12-7-6-11(10(2)14)9-13(12)15-3/h6-7,9H,4-5,8H2,1-3H3
InChI Key:
QOKHMJFNZKKYGC-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1OC)C(=O)C
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.126g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.284g/mol
Monoisotopic Mass:
222.126g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties