Home Aldehydes 4-methoxy-3-(3-methylbutoxy)benzaldehyde

4-methoxy-3-(3-methylbutoxy)benzaldehyde

CAS No.:
722504-38-3
Catalog Number:
AG01A872
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
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Product Description
Catalog Number:
AG01A872
Chemical Name:
4-methoxy-3-(3-methylbutoxy)benzaldehyde
CAS Number:
722504-38-3
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
MDL Number:
MFCD06742798
IUPAC Name:
4-methoxy-3-(3-methylbutoxy)benzaldehyde
InChI:
InChI=1S/C13H18O3/c1-10(2)6-7-16-13-8-11(9-14)4-5-12(13)15-3/h4-5,8-10H,6-7H2,1-3H3
InChI Key:
DXKJFUIMEVOZKJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OCCC(C)C)C=O
Properties
Complexity:
203  
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:
3  
Properties