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Home > Indoles and Oxindole > 18210-83-8
18210-83-8 | 1H-Indole-1-propanenitrile, 5-methyl-
CAS No: 18210-83-8 Catalog No: AG0023DS MDL No:
Product Description
Catalog Number:
AG0023DS
Chemical Name:
1H-Indole-1-propanenitrile, 5-methyl-
CAS Number:
18210-83-8
Molecular Formula:
C12H12N2
Molecular Weight:
184.2371
IUPAC Name:
3-(5-methylindol-1-yl)propanenitrile
InChI:
InChI=1S/C12H12N2/c1-10-3-4-12-11(9-10)5-8-14(12)7-2-6-13/h3-5,8-9H,2,7H2,1H3
InChI Key:
FXNDSCNAXUMWBO-UHFFFAOYSA-N
SMILES:
N#CCCn1ccc2c1ccc(c2)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:
184.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.242g/mol
Monoisotopic Mass:
184.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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