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Home > Indoles and Oxindole > 28918-49-2
28918-49-2 | 1H-Indole, 1,3-bis(3-methyl-2-buten-1-yl)-
CAS No: 28918-49-2 Catalog No: AG002X23 MDL No:
Product Description
Catalog Number:
AG002X23
Chemical Name:
1H-Indole, 1,3-bis(3-methyl-2-buten-1-yl)-
CAS Number:
28918-49-2
Molecular Formula:
C18H23N
Molecular Weight:
253.3819
IUPAC Name:
1,3-bis(3-methylbut-2-enyl)indole
InChI:
InChI=1S/C18H23N/c1-14(2)9-10-16-13-19(12-11-15(3)4)18-8-6-5-7-17(16)18/h5-9,11,13H,10,12H2,1-4H3
InChI Key:
UPOUTEVQUSEGIO-UHFFFAOYSA-N
SMILES:
CC(=CCc1cn(c2c1cccc2)CC=C(C)C)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.183g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.389g/mol
Monoisotopic Mass:
253.183g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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