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42951-63-3 | 1H-Indole, 1-octyl-
CAS No: 42951-63-3 Catalog No: AG0070A7 MDL No:
Product Description
Catalog Number:
AG0070A7
Chemical Name:
1H-Indole, 1-octyl-
CAS Number:
42951-63-3
Molecular Formula:
C16H23N
Molecular Weight:
229.3605
IUPAC Name:
1-octylindole
InChI:
InChI=1S/C16H23N/c1-2-3-4-5-6-9-13-17-14-12-15-10-7-8-11-16(15)17/h7-8,10-12,14H,2-6,9,13H2,1H3
InChI Key:
VOWUHKQBOIRNJT-UHFFFAOYSA-N
SMILES:
CCCCCCCCn1ccc2c1cccc2
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.183g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.367g/mol
Monoisotopic Mass:
229.183g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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