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Home > Indoles and Oxindole > 116174-37-9
116174-37-9 | 1H-Indole-2-carbonitrile, 1-benzoyloctahydro-
CAS No: 116174-37-9 Catalog No: AG000BTZ MDL No:
Product Description
Catalog Number:
AG000BTZ
Chemical Name:
1H-Indole-2-carbonitrile, 1-benzoyloctahydro-
CAS Number:
116174-37-9
Molecular Formula:
C16H18N2O
Molecular Weight:
254.3269
IUPAC Name:
1-benzoyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonitrile
InChI:
InChI=1S/C16H18N2O/c17-11-14-10-13-8-4-5-9-15(13)18(14)16(19)12-6-2-1-3-7-12/h1-3,6-7,13-15H,4-5,8-10H2
InChI Key:
HTTRFBGFJUMOKF-UHFFFAOYSA-N
SMILES:
N#CC1CC2C(N1C(=O)c1ccccc1)CCCC2
EC Number:
601-413-4
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.142g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.333g/mol
Monoisotopic Mass:
254.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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