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646450-12-6 | 1H-Indole, octahydro-1-(3-phenyl-2-propenyl)-
CAS No: 646450-12-6 Catalog No: AG006ROD MDL No:
Product Description
Catalog Number:
AG006ROD
Chemical Name:
1H-Indole, octahydro-1-(3-phenyl-2-propenyl)-
CAS Number:
646450-12-6
Molecular Formula:
C17H23N
Molecular Weight:
241.3712
IUPAC Name:
1-(3-phenylprop-2-enyl)-2,3,3a,4,5,6,7,7a-octahydroindole
InChI:
InChI=1S/C17H23N/c1-2-7-15(8-3-1)9-6-13-18-14-12-16-10-4-5-11-17(16)18/h1-3,6-9,16-17H,4-5,10-14H2
InChI Key:
REZYBZOBKCVCFU-UHFFFAOYSA-N
SMILES:
C1CCC2C(C1)N(CC=Cc1ccccc1)CC2
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.183g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.378g/mol
Monoisotopic Mass:
241.183g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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