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1200-14-2 | Benzaldehyde, 4-butyl-
CAS No: 1200-14-2 Catalog No: AG000Q2C MDL No:MFCD00040751
Product Description
Catalog Number:
AG000Q2C
Chemical Name:
Benzaldehyde, 4-butyl-
CAS Number:
1200-14-2
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
MDL Number:
MFCD00040751
IUPAC Name:
4-butylbenzaldehyde
InChI:
InChI=1S/C11H14O/c1-2-3-4-10-5-7-11(9-12)8-6-10/h5-9H,2-4H2,1H3
InChI Key:
ARIREUPIXAKDAY-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)C=O
EC Number:
214-851-2
Properties
Complexity:
123
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:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| 3D-QSAR and molecular docking studies of benzaldehyde thiosemicarbazone, benzaldehyde, benzoic acid, and their derivatives as phenoloxidase inhibitors. | Bioorganic & medicinal chemistry 20070301 |
| Inhibitory effects on mushroom tyrosinase by some alkylbenzaldehydes. | Journal of enzyme inhibition and medicinal chemistry 20031201 |
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