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Home > Indoles and Oxindole > 683800-26-2
683800-26-2 | 1H-Indole, 2-(4-pentenyl)-
CAS No: 683800-26-2 Catalog No: AG006KT4 MDL No:
Product Description
Catalog Number:
AG006KT4
Chemical Name:
1H-Indole, 2-(4-pentenyl)-
CAS Number:
683800-26-2
Molecular Formula:
C13H15N
Molecular Weight:
185.2649
IUPAC Name:
2-pent-4-enyl-1H-indole
InChI:
InChI=1S/C13H15N/c1-2-3-4-8-12-10-11-7-5-6-9-13(11)14-12/h2,5-7,9-10,14H,1,3-4,8H2
InChI Key:
UOSTWTNWCKOFTN-UHFFFAOYSA-N
SMILES:
C=CCCCc1cc2c([nH]1)cccc2
Properties
Complexity:
188
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:
1
Isotope Atom Count:
0
Molecular Weight:
185.27g/mol
Monoisotopic Mass:
185.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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