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Home > Indoles and Oxindole > 2059975-42-5
2059975-42-5 | 3-ethyl-3-methyl-2,3-dihydro-1H-indole-5-carbonitrile
CAS No: 2059975-42-5 Catalog No: AG01BP85 MDL No:MFCD30499956
Product Description
Catalog Number:
AG01BP85
Chemical Name:
3-ethyl-3-methyl-2,3-dihydro-1H-indole-5-carbonitrile
CAS Number:
2059975-42-5
Molecular Formula:
C12H14N2
Molecular Weight:
186.2530
MDL Number:
MFCD30499956
IUPAC Name:
3-ethyl-3-methyl-1,2-dihydroindole-5-carbonitrile
InChI:
InChI=1S/C12H14N2/c1-3-12(2)8-14-11-5-4-9(7-13)6-10(11)12/h4-6,14H,3,8H2,1-2H3
InChI Key:
BIDAIOYNNJKADN-UHFFFAOYSA-N
SMILES:
CCC1(C)CNc2c1cc(C#N)cc2
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.116g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.258g/mol
Monoisotopic Mass:
186.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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