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Home > Aldehydes > 872183-70-5
872183-70-5 | 4-Ethoxy-5-isopropyl-2-methylbenzaldehyde
CAS No: 872183-70-5 Catalog No: AG004JE6 MDL No:MFCD02629704
Product Description
Catalog Number:
AG004JE6
Chemical Name:
4-Ethoxy-5-isopropyl-2-methylbenzaldehyde
CAS Number:
872183-70-5
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
MDL Number:
MFCD02629704
IUPAC Name:
4-ethoxy-2-methyl-5-propan-2-ylbenzaldehyde
InChI:
InChI=1S/C13H18O2/c1-5-15-13-6-10(4)11(8-14)7-12(13)9(2)3/h6-9H,5H2,1-4H3
InChI Key:
AJEMGCWPWNRYNF-UHFFFAOYSA-N
SMILES:
CCOc1cc(C)c(cc1C(C)C)C=O
Properties
Complexity:
201
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
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