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Home > Indoles and Oxindole > 880079-42-5
880079-42-5 | 4,6-dimethyl-1H-Indole-3-acetonitrile
CAS No: 880079-42-5 Catalog No: AG00H40J MDL No:
Product Description
Catalog Number:
AG00H40J
Chemical Name:
4,6-dimethyl-1H-Indole-3-acetonitrile
CAS Number:
880079-42-5
IUPAC Name:
2-(4,6-dimethyl-1H-indol-3-yl)acetonitrile
InChI:
InChI=1S/C12H12N2/c1-8-5-9(2)12-10(3-4-13)7-14-11(12)6-8/h5-7,14H,3H2,1-2H3
InChI Key:
FYDQGIIRHVCOPZ-UHFFFAOYSA-N
Properties
Complexity:
252
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:
2.4
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