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Home > Indoles and Oxindole > 1190319-95-9
1190319-95-9 | 1H-Indole-4-carbonitrile, 5,7-dimethyl-
CAS No: 1190319-95-9 Catalog No: AG000HW4 MDL No:MFCD12963534
Product Description
Catalog Number:
AG000HW4
Chemical Name:
1H-Indole-4-carbonitrile, 5,7-dimethyl-
CAS Number:
1190319-95-9
Molecular Formula:
C11H10N2
Molecular Weight:
170.2105
MDL Number:
MFCD12963534
IUPAC Name:
5,7-dimethyl-1H-indole-4-carbonitrile
InChI:
InChI=1S/C11H10N2/c1-7-5-8(2)11-9(3-4-13-11)10(7)6-12/h3-5,13H,1-2H3
InChI Key:
MHNFCZRCJIMEOD-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)cc(c2c1cc[nH]2)C
Properties
Complexity:
240
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:
0
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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