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Home > Indoles and Oxindole > 84548-94-7
84548-94-7 | 1-METHYL-1H-INDOLE-4-ACETONITRILE
CAS No: 84548-94-7 Catalog No: AG01DQUS MDL No:MFCD13183803
Product Description
Catalog Number:
AG01DQUS
Chemical Name:
1-METHYL-1H-INDOLE-4-ACETONITRILE
CAS Number:
84548-94-7
Molecular Formula:
C11H10N2
Molecular Weight:
170.2105
MDL Number:
MFCD13183803
IUPAC Name:
2-(1-methylindol-4-yl)acetonitrile
InChI:
InChI=1S/C11H10N2/c1-13-8-6-10-9(5-7-12)3-2-4-11(10)13/h2-4,6,8H,5H2,1H3
InChI Key:
HGFRPURFUZIRGP-UHFFFAOYSA-N
SMILES:
N#CCc1cccc2c1ccn2C
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:
0
Isotope Atom Count:
0
Molecular Weight:
170.215g/mol
Monoisotopic Mass:
170.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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