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1038730-49-2 | 4-iso-Butoxy-3,5-dimethylbenzaldehyde
CAS No: 1038730-49-2 Catalog No: AG01FCV3 MDL No:
Product Description
Catalog Number:
AG01FCV3
Chemical Name:
4-iso-Butoxy-3,5-dimethylbenzaldehyde
CAS Number:
1038730-49-2
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
IUPAC Name:
3,5-dimethyl-4-(2-methylpropoxy)benzaldehyde
InChI:
InChI=1S/C13H18O2/c1-9(2)8-15-13-10(3)5-12(7-14)6-11(13)4/h5-7,9H,8H2,1-4H3
InChI Key:
SHRCGABOCHOTKU-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C)c(c(c1)C)OCC(C)C
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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