Home Nitriles 2-(4-ethoxy-1H-indol-3-yl)acetonitrile

2-(4-ethoxy-1H-indol-3-yl)acetonitrile

CAS No.:
30036-17-0
Catalog Number:
AG01AFUU
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
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Product Description
Catalog Number:
AG01AFUU
Chemical Name:
2-(4-ethoxy-1H-indol-3-yl)acetonitrile
CAS Number:
30036-17-0
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD11112001
IUPAC Name:
2-(4-ethoxy-1H-indol-3-yl)acetonitrile
InChI:
InChI=1S/C12H12N2O/c1-2-15-11-5-3-4-10-12(11)9(6-7-13)8-14-10/h3-5,8,14H,2,6H2,1H3
InChI Key:
YVVGVKWPEQXZCM-UHFFFAOYSA-N
SMILES:
CCOc1cccc2c1c(CC#N)c[nH]2
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties