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Home > Indoles and Oxindole > 64359-15-5
64359-15-5 | 1H-Indole-1-butanenitrile, 2,3-dimethyl-
CAS No: 64359-15-5 Catalog No: AG00H8BC MDL No:
Product Description
Catalog Number:
AG00H8BC
Chemical Name:
1H-Indole-1-butanenitrile, 2,3-dimethyl-
CAS Number:
64359-15-5
Molecular Formula:
C14H16N2
Molecular Weight:
212.2902
IUPAC Name:
4-(2,3-dimethylindol-1-yl)butanenitrile
InChI:
InChI=1S/C14H16N2/c1-11-12(2)16(10-6-5-9-15)14-8-4-3-7-13(11)14/h3-4,7-8H,5-6,10H2,1-2H3
InChI Key:
ONEYVZUJIDQDTP-UHFFFAOYSA-N
SMILES:
N#CCCCn1c2ccccc2c(c1C)C
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.296g/mol
Monoisotopic Mass:
212.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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