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1079-30-7 | 3-(2-methyl-1H-indol-3-yl)propanenitrile
CAS No: 1079-30-7 Catalog No: AG01CAL6 MDL No:MFCD00277098
Product Description
Catalog Number:
AG01CAL6
Chemical Name:
3-(2-methyl-1H-indol-3-yl)propanenitrile
CAS Number:
1079-30-7
Molecular Formula:
C12H12N2
Molecular Weight:
184.2371
MDL Number:
MFCD00277098
IUPAC Name:
3-(2-methyl-1H-indol-3-yl)propanenitrile
InChI:
InChI=1S/C12H12N2/c1-9-10(6-4-8-13)11-5-2-3-7-12(11)14-9/h2-3,5,7,14H,4,6H2,1H3
InChI Key:
HAMMJVVDSMYKBK-UHFFFAOYSA-N
SMILES:
N#CCCc1c(C)[nH]c2c1cccc2
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:
1
Isotope Atom Count:
0
Molecular Weight:
184.242g/mol
Monoisotopic Mass:
184.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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