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Home > Indoles and Oxindole > 861207-70-7
861207-70-7 | 1-(1-cyclohexanecarbonyl-1H-indol-3-yl)ethan-1-one
CAS No: 861207-70-7 Catalog No: AG00IXQ5 MDL No:MFCD04124819
Product Description
Catalog Number:
AG00IXQ5
Chemical Name:
1-(1-cyclohexanecarbonyl-1H-indol-3-yl)ethan-1-one
CAS Number:
861207-70-7
Molecular Formula:
C17H19NO2
Molecular Weight:
269.3383
MDL Number:
MFCD04124819
IUPAC Name:
1-[1-(cyclohexanecarbonyl)indol-3-yl]ethanone
InChI:
InChI=1S/C17H19NO2/c1-12(19)15-11-18(16-10-6-5-9-14(15)16)17(20)13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3
InChI Key:
JHQFIYHDYPOERQ-UHFFFAOYSA-N
SMILES:
CC(=O)c1cn(c2c1cccc2)C(=O)C1CCCCC1
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.142g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.344g/mol
Monoisotopic Mass:
269.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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