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89556-62-7 | Benzaldehyde, 2,5-dimethoxy-4-(2-methylpropyl)-
CAS No: 89556-62-7 Catalog No: AG003ZMX MDL No:
Product Description
Catalog Number:
AG003ZMX
Chemical Name:
Benzaldehyde, 2,5-dimethoxy-4-(2-methylpropyl)-
CAS Number:
89556-62-7
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
IUPAC Name:
2,5-dimethoxy-4-(2-methylpropyl)benzaldehyde
InChI:
InChI=1S/C13H18O3/c1-9(2)5-10-6-13(16-4)11(8-14)7-12(10)15-3/h6-9H,5H2,1-4H3
InChI Key:
PKDYEPBTNRRUJK-UHFFFAOYSA-N
SMILES:
COc1cc(C=O)c(cc1CC(C)C)OC
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:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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