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Home > Indoles and Oxindole > 294863-12-0
294863-12-0 | 1H-Indole, 3-(3-buten-1-yl)-1-methyl-
CAS No: 294863-12-0 Catalog No: AG002YK1 MDL No:
Product Description
Catalog Number:
AG002YK1
Chemical Name:
1H-Indole, 3-(3-buten-1-yl)-1-methyl-
CAS Number:
294863-12-0
Molecular Formula:
C13H15N
Molecular Weight:
185.2649
IUPAC Name:
3-but-3-enyl-1-methylindole
InChI:
InChI=1S/C13H15N/c1-3-4-7-11-10-14(2)13-9-6-5-8-12(11)13/h3,5-6,8-10H,1,4,7H2,2H3
InChI Key:
ALROIQBIWVAYON-UHFFFAOYSA-N
SMILES:
C=CCCc1cn(c2c1cccc2)C
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.12g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.27g/mol
Monoisotopic Mass:
185.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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