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Home > Indoles and Oxindole > 96839-16-6
96839-16-6 | 1H-Indole, 3-[(1E)-3-methyl-1,3-butadienyl]-
CAS No: 96839-16-6 Catalog No: AG005SSZ MDL No:
Product Description
Catalog Number:
AG005SSZ
Chemical Name:
1H-Indole, 3-[(1E)-3-methyl-1,3-butadienyl]-
CAS Number:
96839-16-6
Molecular Formula:
C13H13N
Molecular Weight:
183.2490
IUPAC Name:
3-(3-methylbuta-1,3-dienyl)-1H-indole
InChI:
InChI=1S/C13H13N/c1-10(2)7-8-11-9-14-13-6-4-3-5-12(11)13/h3-9,14H,1H2,2H3
InChI Key:
KKQKAWAWPGJBQG-UHFFFAOYSA-N
SMILES:
CC(=C)/C=C/c1c[nH]c2c1cccc2
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:
4.3
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