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Home > Indoles and Oxindole > 42951-39-3
42951-39-3 | 2-Methyl-1-octyl-1H-indole
CAS No: 42951-39-3 Catalog No: AG0070A8 MDL No:MFCD04972092
Product Description
Catalog Number:
AG0070A8
Chemical Name:
2-Methyl-1-octyl-1H-indole
CAS Number:
42951-39-3
Molecular Formula:
C17H25N
Molecular Weight:
243.3871
MDL Number:
MFCD04972092
IUPAC Name:
2-methyl-1-octylindole
InChI:
InChI=1S/C17H25N/c1-3-4-5-6-7-10-13-18-15(2)14-16-11-8-9-12-17(16)18/h8-9,11-12,14H,3-7,10,13H2,1-2H3
InChI Key:
MOVCYDNEZZZSLV-UHFFFAOYSA-N
SMILES:
CCCCCCCCn1c(C)cc2c1cccc2
EC Number:
256-016-5
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.199g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.394g/mol
Monoisotopic Mass:
243.199g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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