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78329-40-5 | 1H-Indole, 2-(1-cyclohexen-1-yl)-
CAS No: 78329-40-5 Catalog No: AG0053PR MDL No:
Product Description
Catalog Number:
AG0053PR
Chemical Name:
1H-Indole, 2-(1-cyclohexen-1-yl)-
CAS Number:
78329-40-5
Molecular Formula:
C14H15N
Molecular Weight:
197.2756
IUPAC Name:
2-(cyclohexen-1-yl)-1H-indole
InChI:
InChI=1S/C14H15N/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14/h4-6,8-10,15H,1-3,7H2
InChI Key:
KJKXOZREZXQOQE-UHFFFAOYSA-N
SMILES:
C1CCC(=CC1)c1cc2c([nH]1)cccc2
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.12g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.281g/mol
Monoisotopic Mass:
197.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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