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Home > Indoles and Oxindole > 163083-04-3
163083-04-3 | 4H-Indol-4-one, 1,5,6,7-tetrahydro-2,6,6-trimethyl-1-(4-methylphenyl)-
CAS No: 163083-04-3 Catalog No: AG001TOV MDL No:
Product Description
Catalog Number:
AG001TOV
Chemical Name:
4H-Indol-4-one, 1,5,6,7-tetrahydro-2,6,6-trimethyl-1-(4-methylphenyl)-
CAS Number:
163083-04-3
Molecular Formula:
C18H21NO
Molecular Weight:
267.3654
IUPAC Name:
2,6,6-trimethyl-1-(4-methylphenyl)-5,7-dihydroindol-4-one
InChI:
InChI=1S/C18H21NO/c1-12-5-7-14(8-6-12)19-13(2)9-15-16(19)10-18(3,4)11-17(15)20/h5-9H,10-11H2,1-4H3
InChI Key:
CHYGWJDLPRHLAM-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1c(C)cc2c1CC(C)(C)CC2=O
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.162g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.372g/mol
Monoisotopic Mass:
267.162g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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