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Home > Aldehydes > 681443-01-6
681443-01-6 | BENZALDEHYDE, 5-(1,1-DIMETHYLETHYL)-2-ETHOXY-
CAS No: 681443-01-6 Catalog No: AG005ZHP MDL No:MFCD02380389
Product Description
Catalog Number:
AG005ZHP
Chemical Name:
BENZALDEHYDE, 5-(1,1-DIMETHYLETHYL)-2-ETHOXY-
CAS Number:
681443-01-6
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
MDL Number:
MFCD02380389
IUPAC Name:
5-tert-butyl-2-ethoxybenzaldehyde
InChI:
InChI=1S/C13H18O2/c1-5-15-12-7-6-11(13(2,3)4)8-10(12)9-14/h6-9H,5H2,1-4H3
InChI Key:
GTGVFOSPXJNMIQ-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1C=O)C(C)(C)C
Properties
Complexity:
205
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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