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Home Aldehydes 3-Isopropylbenzaldehyde

3-Isopropylbenzaldehyde

CAS No.:
34246-57-6
Catalog Number:
AG007H12
Molecular Formula:
C10H12O
Molecular Weight:
148.2017
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$57
- +
5g
96%
In Stock USA
United States
$225
- +
25g
96%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG007H12
Chemical Name:
3-Isopropylbenzaldehyde
CAS Number:
34246-57-6
Molecular Formula:
C10H12O
Molecular Weight:
148.2017
MDL Number:
MFCD08062435
IUPAC Name:
3-propan-2-ylbenzaldehyde
InChI:
InChI=1S/C10H12O/c1-8(2)10-5-3-4-9(6-10)7-11/h3-8H,1-2H3
InChI Key:
FFQXEFNKZVGJDI-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)C(C)C
Properties
Complexity:
129  
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:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
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
Properties