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Home Nitriles 2-(5-Methoxy-1H-indol-3-yl)acetonitrile

2-(5-Methoxy-1H-indol-3-yl)acetonitrile

CAS No.:
2436-17-1
Catalog Number:
AG006W7A
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$19
- +
5g
98%
In Stock USA
United States
$53
- +
10g
98%
In Stock USA
United States
$94
- +
25g
98%
In Stock USA
United States
$184
- +
100g
98%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG006W7A
Chemical Name:
2-(5-Methoxy-1H-indol-3-yl)acetonitrile
CAS Number:
2436-17-1
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
MDL Number:
MFCD02094163
IUPAC Name:
2-(5-methoxy-1H-indol-3-yl)acetonitrile
InChI:
InChI=1S/C11H10N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4H2,1H3
InChI Key:
ZBQCXEREMRGOCO-UHFFFAOYSA-N
SMILES:
N#CCc1c[nH]c2c1cc(OC)cc2
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
(5-Meth-oxy-1H-indol-3-yl)acetonitrile. Acta crystallographica. Section E, Structure reports online 20120101
Efficient formal total synthesis of physostigmine and physovenine: conformational analysis of key intermediates. Journal of natural products 20020201
Properties