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Home > Indoles and Oxindole > 113557-21-4
113557-21-4 | 1H-Indole, 2,3-dihydro-7-(3-methyl-2-buten-1-yl)-
CAS No: 113557-21-4 Catalog No: AG0008Z6 MDL No:
Product Description
Catalog Number:
AG0008Z6
Chemical Name:
1H-Indole, 2,3-dihydro-7-(3-methyl-2-buten-1-yl)-
CAS Number:
113557-21-4
Molecular Formula:
C13H17N
Molecular Weight:
187.2808
IUPAC Name:
7-(3-methylbut-2-enyl)-2,3-dihydro-1H-indole
InChI:
InChI=1S/C13H17N/c1-10(2)6-7-11-4-3-5-12-8-9-14-13(11)12/h3-6,14H,7-9H2,1-2H3
InChI Key:
POTGUJHKZRBMLW-UHFFFAOYSA-N
SMILES:
CC(=CCc1cccc2c1NCC2)C
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.286g/mol
Monoisotopic Mass:
187.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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