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Home > Aldehydes > 681443-02-7
681443-02-7 | BENZALDEHYDE, 3-(1,1-DIMETHYLETHYL)-4-ETHOXY-
CAS No: 681443-02-7 Catalog No: AG005ZHO MDL No:MFCD02380390
Product Description
Catalog Number:
AG005ZHO
Chemical Name:
BENZALDEHYDE, 3-(1,1-DIMETHYLETHYL)-4-ETHOXY-
CAS Number:
681443-02-7
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
MDL Number:
MFCD02380390
IUPAC Name:
3-tert-butyl-4-ethoxybenzaldehyde
InChI:
InChI=1S/C13H18O2/c1-5-15-12-7-6-10(9-14)8-11(12)13(2,3)4/h6-9H,5H2,1-4H3
InChI Key:
DPWPVBWJIABALM-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1C(C)(C)C)C=O
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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