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Home > Indoles and Oxindole > 683799-97-5
683799-97-5 | 1H-Indole, 2-(4-pentenyl)-1-(phenylmethyl)-
CAS No: 683799-97-5 Catalog No: AG005QOR MDL No:
Product Description
Catalog Number:
AG005QOR
Chemical Name:
1H-Indole, 2-(4-pentenyl)-1-(phenylmethyl)-
CAS Number:
683799-97-5
Molecular Formula:
C20H21N
Molecular Weight:
275.3874
IUPAC Name:
1-benzyl-2-pent-4-enylindole
InChI:
InChI=1S/C20H21N/c1-2-3-5-13-19-15-18-12-8-9-14-20(18)21(19)16-17-10-6-4-7-11-17/h2,4,6-12,14-15H,1,3,5,13,16H2
InChI Key:
UYXGHSKQVXSSTB-UHFFFAOYSA-N
SMILES:
C=CCCCc1cc2c(n1Cc1ccccc1)cccc2
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.167g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.395g/mol
Monoisotopic Mass:
275.167g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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