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Home > Indoles and Oxindole > 23078-29-7
23078-29-7 | 1H-Indole-3-acetonitrile, α,α-dimethyl-
CAS No: 23078-29-7 Catalog No: AG002M54 MDL No:
Product Description
Catalog Number:
AG002M54
Chemical Name:
1H-Indole-3-acetonitrile, α,α-dimethyl-
CAS Number:
23078-29-7
Molecular Formula:
C12H12N2
Molecular Weight:
184.2371
IUPAC Name:
2-(1H-indol-3-yl)-2-methylpropanenitrile
InChI:
InChI=1S/C12H12N2/c1-12(2,8-13)10-7-14-11-6-4-3-5-9(10)11/h3-7,14H,1-2H3
InChI Key:
CIPHSCQFFHSUGX-UHFFFAOYSA-N
SMILES:
N#CC(c1c[nH]c2c1cccc2)(C)C
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.242g/mol
Monoisotopic Mass:
184.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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