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Home > Indoles and Oxindole > 140639-84-5
140639-84-5 | 3-(1H-indol-7-yl)propanenitrile
CAS No: 140639-84-5 Catalog No: AG01DIIA MDL No:MFCD13183491
Product Description
Catalog Number:
AG01DIIA
Chemical Name:
3-(1H-indol-7-yl)propanenitrile
CAS Number:
140639-84-5
Molecular Formula:
C11H10N2
Molecular Weight:
170.2105
MDL Number:
MFCD13183491
IUPAC Name:
3-(1H-indol-7-yl)propanenitrile
InChI:
InChI=1S/C11H10N2/c12-7-2-5-9-3-1-4-10-6-8-13-11(9)10/h1,3-4,6,8,13H,2,5H2
InChI Key:
NPNCILYWZPKZDH-UHFFFAOYSA-N
SMILES:
N#CCCc1cccc2c1[nH]cc2
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.215g/mol
Monoisotopic Mass:
170.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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