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115802-70-5 | Ethanone, 1-(3-ethyl-2,3-dihydro-1H-indol-1-yl)-
CAS No: 115802-70-5 Catalog No: AG000GW5 MDL No:
Product Description
Catalog Number:
AG000GW5
Chemical Name:
Ethanone, 1-(3-ethyl-2,3-dihydro-1H-indol-1-yl)-
CAS Number:
115802-70-5
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
IUPAC Name:
1-(3-ethyl-2,3-dihydroindol-1-yl)ethanone
InChI:
InChI=1S/C12H15NO/c1-3-10-8-13(9(2)14)12-7-5-4-6-11(10)12/h4-7,10H,3,8H2,1-2H3
InChI Key:
PVHAEZQJGQWHOB-UHFFFAOYSA-N
SMILES:
CCC1CN(c2c1cccc2)C(=O)C
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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