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

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

CAS No.:
81630-84-4
Catalog Number:
AG01EJTA
Molecular Formula:
C13H14N2O
Molecular Weight:
214.2631
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Product Description
Catalog Number:
AG01EJTA
Chemical Name:
2-(5-propoxy-1H-indol-3-yl)acetonitrile
CAS Number:
81630-84-4
Molecular Formula:
C13H14N2O
Molecular Weight:
214.2631
MDL Number:
MFCD22981990
IUPAC Name:
2-(5-propoxy-1H-indol-3-yl)acetonitrile
InChI:
InChI=1S/C13H14N2O/c1-2-7-16-11-3-4-13-12(8-11)10(5-6-14)9-15-13/h3-4,8-9,15H,2,5,7H2,1H3
InChI Key:
RLZXDTGKUKBHMJ-UHFFFAOYSA-N
SMILES:
CCCOc1ccc2c(c1)c(CC#N)c[nH]2
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.111g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
214.268g/mol
Monoisotopic Mass:
214.111g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties