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Home > Indoles and Oxindole > 2059975-40-3
2059975-40-3 | 3-propyl-2,3-dihydro-1H-indole-5-carbonitrile
CAS No: 2059975-40-3 Catalog No: AG01BP81 MDL No:MFCD30499952
Product Description
Catalog Number:
AG01BP81
Chemical Name:
3-propyl-2,3-dihydro-1H-indole-5-carbonitrile
CAS Number:
2059975-40-3
Molecular Formula:
C12H14N2
Molecular Weight:
186.2530
MDL Number:
MFCD30499952
IUPAC Name:
3-propyl-2,3-dihydro-1H-indole-5-carbonitrile
InChI:
InChI=1S/C12H14N2/c1-2-3-10-8-14-12-5-4-9(7-13)6-11(10)12/h4-6,10,14H,2-3,8H2,1H3
InChI Key:
ANGHFJKAKMRGIQ-UHFFFAOYSA-N
SMILES:
CCCC1CNc2c1cc(cc2)C#N
Properties
Complexity:
240
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:
2
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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