Home Other Building Blocks 5-Methoxyindole-3-butyric acid

5-Methoxyindole-3-butyric acid

CAS No.:
83696-90-6
Catalog Number:
AG008IIG
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$246
- +
5g
97%
1 week
United States
$871
- +
Product Description
Catalog Number:
AG008IIG
Chemical Name:
5-Methoxyindole-3-butyric acid
CAS Number:
83696-90-6
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
MDL Number:
MFCD03839845
IUPAC Name:
4-(5-methoxy-1H-indol-3-yl)butanoic acid
InChI:
InChI=1S/C13H15NO3/c1-17-10-5-6-12-11(7-10)9(8-14-12)3-2-4-13(15)16/h5-8,14H,2-4H2,1H3,(H,15,16)
InChI Key:
CIYTWRCWBDXUQU-UHFFFAOYSA-N
SMILES:
COc1cc2c(CCCC(=O)O)c[nH]c2cc1
Properties
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties