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28785-06-0

28785-06-0 | Benzaldehyde, 4-propyl-

CAS No: 28785-06-0 Catalog No: AG002WGM MDL No:MFCD00041870

Product Description

Catalog Number:
AG002WGM
Chemical Name:
Benzaldehyde, 4-propyl-
CAS Number:
28785-06-0
Molecular Formula:
C10H12O
Molecular Weight:
148.2017
MDL Number:
MFCD00041870
IUPAC Name:
4-propylbenzaldehyde
InChI:
InChI=1S/C10H12O/c1-2-3-9-4-6-10(8-11)7-5-9/h4-8H,2-3H2,1H3
InChI Key:
MAUCRURSQMOFGV-UHFFFAOYSA-N
SMILES:
CCCc1ccc(cc1)C=O
EC Number:
249-221-6

Properties

Complexity:
112  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.089g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.205g/mol
Monoisotopic Mass:
148.089g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

Literature

Title Journal
[2,7-Dimeth-oxy-8-(4-propyl-benzo-yl)naphthalen-1-yl](4-propyl-phen-yl)methanone. Acta crystallographica. Section E, Structure reports online 20120801
Design, synthesis, and structure-activity relationship exploration of 1-substituted 4-aroyl-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one analogues as inhibitors of the annexin A2-S100A10 protein interaction. Journal of medicinal chemistry 20110414
Inhibitory effects on mushroom tyrosinase by some alkylbenzaldehydes. Journal of enzyme inhibition and medicinal chemistry 20031201

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