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Home > Indoles and Oxindole > 73811-01-5
73811-01-5 | 1H-Indole, 2,3-dihydro-3,3-dimethyl-2-methylene-1-octadecyl-
CAS No: 73811-01-5 Catalog No: AG005X34 MDL No:
Product Description
Catalog Number:
AG005X34
Chemical Name:
1H-Indole, 2,3-dihydro-3,3-dimethyl-2-methylene-1-octadecyl-
CAS Number:
73811-01-5
Molecular Formula:
C29H49N
Molecular Weight:
411.7061
IUPAC Name:
3,3-dimethyl-2-methylidene-1-octadecylindole
InChI:
InChI=1S/C29H49N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-30-26(2)29(3,4)27-23-20-21-24-28(27)30/h20-21,23-24H,2,5-19,22,25H2,1,3-4H3
InChI Key:
NEFKBMGPCLMTKR-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCN1c2ccccc2C(C1=C)(C)C
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.387g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
411.718g/mol
Monoisotopic Mass:
411.387g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.3
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