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2060060-10-6 | 3,3-diethyl-2,3-dihydro-1H-indole-5-carbonitrile
CAS No: 2060060-10-6 Catalog No: AG01BP84 MDL No:MFCD30499955
Product Description
Catalog Number:
AG01BP84
Chemical Name:
3,3-diethyl-2,3-dihydro-1H-indole-5-carbonitrile
CAS Number:
2060060-10-6
Molecular Formula:
C13H16N2
Molecular Weight:
200.2795
MDL Number:
MFCD30499955
IUPAC Name:
3,3-diethyl-1,2-dihydroindole-5-carbonitrile
InChI:
InChI=1S/C13H16N2/c1-3-13(4-2)9-15-12-6-5-10(8-14)7-11(12)13/h5-7,15H,3-4,9H2,1-2H3
InChI Key:
NVQJEHRSULYZMU-UHFFFAOYSA-N
SMILES:
CCC1(CC)CNc2c1cc(C#N)cc2
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.285g/mol
Monoisotopic Mass:
200.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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