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Home > Aldehydes > 184963-85-7
184963-85-7 | Benzaldehyde, 3,5-dimethoxy-4-(2-methylpropoxy)-
CAS No: 184963-85-7 Catalog No: AG0074R3 MDL No:
Product Description
Catalog Number:
AG0074R3
Chemical Name:
Benzaldehyde, 3,5-dimethoxy-4-(2-methylpropoxy)-
CAS Number:
184963-85-7
Molecular Formula:
C13H18O4
Molecular Weight:
238.2796
IUPAC Name:
3,5-dimethoxy-4-(2-methylpropoxy)benzaldehyde
InChI:
InChI=1S/C13H18O4/c1-9(2)8-17-13-11(15-3)5-10(7-14)6-12(13)16-4/h5-7,9H,8H2,1-4H3
InChI Key:
YKIPFSBRSKHRGP-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)cc(c1OCC(C)C)OC
Properties
Complexity:
216
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:
2.6
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