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Home > Indoles and Oxindole > 1022427-22-0
1022427-22-0 | 1-[(3,4-dimethoxyphenyl)methyl]-2,6,6-trimethyl-4,5,6,7-tetrahydro-1H-indol-4-one
CAS No: 1022427-22-0 Catalog No: AG00ITG2 MDL No:MFCD00245985
Product Description
Catalog Number:
AG00ITG2
Chemical Name:
1-[(3,4-dimethoxyphenyl)methyl]-2,6,6-trimethyl-4,5,6,7-tetrahydro-1H-indol-4-one
CAS Number:
1022427-22-0
Molecular Formula:
C20H25NO3
Molecular Weight:
327.4174
MDL Number:
MFCD00245985
IUPAC Name:
1-[(3,4-dimethoxyphenyl)methyl]-2,6,6-trimethyl-5,7-dihydroindol-4-one
InChI:
InChI=1S/C20H25NO3/c1-13-8-15-16(10-20(2,3)11-17(15)22)21(13)12-14-6-7-18(23-4)19(9-14)24-5/h6-9H,10-12H2,1-5H3
InChI Key:
VTOCYJQHRNFMGM-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)Cn1c(C)cc2c1CC(C)(C)CC2=O
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.183g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.424g/mol
Monoisotopic Mass:
327.183g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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