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Home > Indoles and Oxindole > 92039-39-9
92039-39-9 | 1H-Indole, 2-pentyl-
CAS No: 92039-39-9 Catalog No: AG0061KB MDL No:
Product Description
Catalog Number:
AG0061KB
Chemical Name:
1H-Indole, 2-pentyl-
CAS Number:
92039-39-9
Molecular Formula:
C13H17N
Molecular Weight:
187.2808
IUPAC Name:
2-pentyl-1H-indole
InChI:
InChI=1S/C13H17N/c1-2-3-4-8-12-10-11-7-5-6-9-13(11)14-12/h5-7,9-10,14H,2-4,8H2,1H3
InChI Key:
UBXDOZCGGFBQQQ-UHFFFAOYSA-N
SMILES:
CCCCCc1cc2c([nH]1)cccc2
Properties
Complexity:
167
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:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.286g/mol
Monoisotopic Mass:
187.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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