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76017-90-8 | 2-(5-methyl-1H-indol-2-yl)acetonitrile
CAS No: 76017-90-8 Catalog No: AG005SEI MDL No:
Product Description
Catalog Number:
AG005SEI
Chemical Name:
2-(5-methyl-1H-indol-2-yl)acetonitrile
CAS Number:
76017-90-8
Molecular Formula:
C11H10N2
Molecular Weight:
170.2105
IUPAC Name:
2-(5-methyl-1H-indol-2-yl)acetonitrile
InChI:
InChI=1S/C11H10N2/c1-8-2-3-11-9(6-8)7-10(13-11)4-5-12/h2-3,6-7,13H,4H2,1H3
InChI Key:
PINLIEOJKBJVIF-UHFFFAOYSA-N
SMILES:
N#CCc1cc2c([nH]1)ccc(c2)C
NSC Number:
190674
Properties
Complexity:
228
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:
1
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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