Home Aldehydes 4-butoxy-3-ethoxy-benzaldehyde

4-butoxy-3-ethoxy-benzaldehyde

CAS No.:
93567-90-9
Catalog Number:
AG006F5K
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
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Product Description
Catalog Number:
AG006F5K
Chemical Name:
4-butoxy-3-ethoxy-benzaldehyde
CAS Number:
93567-90-9
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
MDL Number:
MFCD01922177
IUPAC Name:
4-butoxy-3-ethoxybenzaldehyde
InChI:
InChI=1S/C13H18O3/c1-3-5-8-16-12-7-6-11(10-14)9-13(12)15-4-2/h6-7,9-10H,3-5,8H2,1-2H3
InChI Key:
GVCSYUPPGUVAPK-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1OCC)C=O
Properties
Complexity:
194  
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:
7  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties