Home Indole and Oxindoles 100929-86-0
100929-86-0,MFCD00056917
Catalog No.:AA00035I
100929-86-0 | 2-(5-Hydroxy-1h-indol-3-yl)acetonitrile
Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95.0%
3 weeks  
$312.00   $219.00
- +
250mg
95.0%
3 weeks  
$417.00   $292.00
- +
500mg
95.0%
3 weeks  
$736.00   $515.00
- +
1g
95.0%
3 weeks  
$925.00   $648.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA00035I
Chemical Name:
2-(5-Hydroxy-1h-indol-3-yl)acetonitrile
CAS Number:
100929-86-0
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
MDL Number:
MFCD00056917
IUPAC Name:
2-(5-hydroxy-1H-indol-3-yl)acetonitrile
InChI:
InChI=1S/C10H8N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3H2
InChI Key:
SHKJOZJRCTYYNW-UHFFFAOYSA-N
SMILES:
N#CCc1c[nH]c2c1cc(O)cc2
Properties
Computed Properties
 
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.064g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
172.187g/mol
Monoisotopic Mass:
172.064g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  

Synonyms
 
100929-86-0 
2-(5-hydroxy-1H-indol-3-yl)acetonitrile 
SHKJOZJRCTYYNW-UHFFFAOYSA-N 
ZINC402931 
AKOS006274091 
CID5150617 
5-HYDROXYINDOLE-3-ACETONITRILE 
1H-Indole-3-acetonitrile, 5-hydroxy- 
1H-Indole-3-acetonitrile,5-hydroxy- 
ACMC-1C4AB 
AC1NP61I 
SCHEMBL2004780 
CTK3J9363 
DTXSID60408821 
Literature
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