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Home > Indoles and Oxindole > 497060-14-7
497060-14-7 | 1-(2H-1,3-benzodioxol-5-yl)-2,6,6-trimethyl-4,5,6,7-tetrahydro-1H-indol-4-one
CAS No: 497060-14-7 Catalog No: AG00IXCQ MDL No:MFCD01567533
Product Description
Catalog Number:
AG00IXCQ
Chemical Name:
1-(2H-1,3-benzodioxol-5-yl)-2,6,6-trimethyl-4,5,6,7-tetrahydro-1H-indol-4-one
CAS Number:
497060-14-7
Molecular Formula:
C18H19NO3
Molecular Weight:
297.3484
MDL Number:
MFCD01567533
IUPAC Name:
1-(1,3-benzodioxol-5-yl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
InChI:
InChI=1S/C18H19NO3/c1-11-6-13-14(8-18(2,3)9-15(13)20)19(11)12-4-5-16-17(7-12)22-10-21-16/h4-7H,8-10H2,1-3H3
InChI Key:
ZILGCGWTYCIRPH-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)Cc2c1cc(n2c1ccc2c(c1)OCO2)C
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.136g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.354g/mol
Monoisotopic Mass:
297.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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