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6853-57-2 | 4-Pentylbenzaldehyde
CAS No: 6853-57-2 Catalog No: AG003LXB MDL No:
Product Description
Catalog Number:
AG003LXB
Chemical Name:
4-Pentylbenzaldehyde
CAS Number:
6853-57-2
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
IUPAC Name:
4-pentylbenzaldehyde
InChI:
InChI=1S/C12H16O/c1-2-3-4-5-11-6-8-12(10-13)9-7-11/h6-10H,2-5H2,1H3
InChI Key:
NQVZPRUSNWNSQH-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)C=O
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.12g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.259g/mol
Monoisotopic Mass:
176.12g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Inhibitory effects on mushroom tyrosinase by some alkylbenzaldehydes. | Journal of enzyme inhibition and medicinal chemistry 20031201 |
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