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Home Other Building Blocks 5-Methylindole-3-acetic acid

5-Methylindole-3-acetic acid

CAS No.:
1912-47-6
Catalog Number:
AG002F45
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$75
- +
5g
95%
In Stock USA
United States
$250
- +
10g
95%
In Stock USA
United States
$400
- +
25g
95%
In Stock USA
United States
$782
- +
Product Description
Catalog Number:
AG002F45
Chemical Name:
5-Methylindole-3-acetic acid
CAS Number:
1912-47-6
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD00022751
IUPAC Name:
2-(5-methyl-1H-indol-3-yl)acetic acid
InChI:
InChI=1S/C11H11NO2/c1-7-2-3-10-9(4-7)8(6-12-10)5-11(13)14/h2-4,6,12H,5H2,1H3,(H,13,14)
InChI Key:
VYFDKXJAORBSAW-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c[nH]c2c1cc(C)cc2
NSC Number:
21428
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
3,3'-diindolylmethane induction of p75NTR-dependent cell death via the p38 mitogen-activated protein kinase pathway in prostate cancer cells. Cancer prevention research (Philadelphia, Pa.) 20090601
Binding of ring-substituted indole-3-acetic acids to human serum albumin. Bioorganic & medicinal chemistry 20070701
Halogenated indole-3-acetic acids as oxidatively activated prodrugs with potential for targeted cancer therapy. Bioorganic & medicinal chemistry letters 20020916
Properties