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683800-08-0 | 1H-Indole, 2-(1,1-dimethyl-4-pentenyl)-
CAS No: 683800-08-0 Catalog No: AG005QOP MDL No:
Product Description
Catalog Number:
AG005QOP
Chemical Name:
1H-Indole, 2-(1,1-dimethyl-4-pentenyl)-
CAS Number:
683800-08-0
Molecular Formula:
C15H19N
Molecular Weight:
213.3181
IUPAC Name:
2-(2-methylhex-5-en-2-yl)-1H-indole
InChI:
InChI=1S/C15H19N/c1-4-5-10-15(2,3)14-11-12-8-6-7-9-13(12)16-14/h4,6-9,11,16H,1,5,10H2,2-3H3
InChI Key:
SGUARNBGXLNOSI-UHFFFAOYSA-N
SMILES:
C=CCCC(c1cc2c([nH]1)cccc2)(C)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.152g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.324g/mol
Monoisotopic Mass:
213.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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