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1082847-50-4 | 3-(7-ethyl-1H-indol-3-yl)-3-oxopropanenitrile
CAS No: 1082847-50-4 Catalog No: AG019N8U MDL No:MFCD11106797
Product Description
Catalog Number:
AG019N8U
Chemical Name:
3-(7-ethyl-1H-indol-3-yl)-3-oxopropanenitrile
CAS Number:
1082847-50-4
Molecular Formula:
C13H12N2O
Molecular Weight:
212.2472
MDL Number:
MFCD11106797
IUPAC Name:
3-(7-ethyl-1H-indol-3-yl)-3-oxopropanenitrile
InChI:
InChI=1S/C13H12N2O/c1-2-9-4-3-5-10-11(8-15-13(9)10)12(16)6-7-14/h3-5,8,15H,2,6H2,1H3
InChI Key:
JWYAUTCMQJMISV-UHFFFAOYSA-N
SMILES:
CCc1cccc2c1[nH]cc2C(=O)CC#N
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.252g/mol
Monoisotopic Mass:
212.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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