CAS 49763-66-8 | 4-Octylbenzaldehyde | CAS Number 49763-66-8

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49763-66-8 | 4-Octylbenzaldehyde

CAS No: 49763-66-8 Catalog No: AG003LXT MDL No:

Product Description

Catalog Number:

AG003LXT

Chemical Name:

4-Octylbenzaldehyde

CAS Number:

49763-66-8

Molecular Formula:

C15H22O

Molecular Weight:

218.3346

IUPAC Name:

4-octylbenzaldehyde

InChI:

InChI=1S/C15H22O/c1-2-3-4-5-6-7-8-14-9-11-15(13-16)12-10-14/h9-13H,2-8H2,1H3

InChI Key:

IHKVZPVHTKOSLW-UHFFFAOYSA-N

SMILES:

CCCCCCCCc1ccc(cc1)C=O

Properties

Complexity:

168

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

218.167g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

218.34g/mol

Monoisotopic Mass:

218.167g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.2

Literature

Title	Journal
A convenient synthesis of immunosuppressive agent FTY720 using the petasis reaction.	Chemical & pharmaceutical bulletin 20050101
Inhibitory effects on mushroom tyrosinase by some alkylbenzaldehydes.	Journal of enzyme inhibition and medicinal chemistry 20031201