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Home > Indoles and Oxindole > 820243-21-8
820243-21-8 | 1H-Indole, 5-(3-methyl-1,3-butadienyl)-
CAS No: 820243-21-8 Catalog No: AG004Y64 MDL No:
Product Description
Catalog Number:
AG004Y64
Chemical Name:
1H-Indole, 5-(3-methyl-1,3-butadienyl)-
CAS Number:
820243-21-8
Molecular Formula:
C13H13N
Molecular Weight:
183.2490
IUPAC Name:
5-(3-methylbuta-1,3-dienyl)-1H-indole
InChI:
InChI=1S/C13H13N/c1-10(2)3-4-11-5-6-13-12(9-11)7-8-14-13/h3-9,14H,1H2,2H3
InChI Key:
JZJBGWYDNDZHIE-UHFFFAOYSA-N
SMILES:
CC(=C)C=Cc1ccc2c(c1)cc[nH]2
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.105g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.254g/mol
Monoisotopic Mass:
183.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
Literature
| Title | Journal |
|---|---|
| Prenylindoles from Tanzanian Monodora and Isolona species. | Natural product research 20040601 |
| The caulindoles: dimeric prenylindoles from Isolona cauliflora. | Phytochemistry 20040101 |
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