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939-97-9 | 4-Tert-Butylbenzaldehyde
CAS No: 939-97-9 Catalog No: AG003M1L MDL No:MFCD00035742
Product Description
Catalog Number:
AG003M1L
Chemical Name:
4-Tert-Butylbenzaldehyde
CAS Number:
939-97-9
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
MDL Number:
MFCD00035742
IUPAC Name:
4-tert-butylbenzaldehyde
InChI:
InChI=1S/C11H14O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-8H,1-3H3
InChI Key:
OTXINXDGSUFPNU-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C(C)(C)C
EC Number:
213-367-9
UNII:
QXF0QY8503
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.104g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.232g/mol
Monoisotopic Mass:
162.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Environmental green chemistry as defined by photocatalysis. | Journal of hazardous materials 20070731 |
| 3D-QSAR and molecular docking studies of benzaldehyde thiosemicarbazone, benzaldehyde, benzoic acid, and their derivatives as phenoloxidase inhibitors. | Bioorganic & medicinal chemistry 20070301 |
| Partial oxidation of 4-tert-butyltoluene catalyzed by homogeneous cobalt and cerium acetate catalysts in the Br-/H2O2/acetic acid system: insights into selectivity and mechanism. | Chemistry (Weinheim an der Bergstrasse, Germany) 20070101 |
| A MALDI-chip integrated system with a monitoring window. | Lab on a chip 20050401 |
| Inhibitory effects on mushroom tyrosinase by some alkylbenzaldehydes. | Journal of enzyme inhibition and medicinal chemistry 20031201 |
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