Home Aldehydes 4-Pentylbenzaldehyde

4-Pentylbenzaldehyde

CAS No.:
6853-57-2
Catalog Number:
AG003LXB
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
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Product Description
Catalog Number:
AG003LXB
Chemical Name:
4-Pentylbenzaldehyde
CAS Number:
6853-57-2
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
MDL Number:
MFCD00043599
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
Properties