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1024222-56-7 | 1-(3,4-dimethoxyphenyl)-2,6,6-trimethyl-4,5,6,7-tetrahydro-1H-indol-4-one
CAS No: 1024222-56-7 Catalog No: AG00ITKC MDL No:MFCD03839709
Product Description
Catalog Number:
AG00ITKC
Chemical Name:
1-(3,4-dimethoxyphenyl)-2,6,6-trimethyl-4,5,6,7-tetrahydro-1H-indol-4-one
CAS Number:
1024222-56-7
Molecular Formula:
C19H23NO3
Molecular Weight:
313.3908
MDL Number:
MFCD03839709
IUPAC Name:
1-(3,4-dimethoxyphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
InChI:
InChI=1S/C19H23NO3/c1-12-8-14-15(10-19(2,3)11-16(14)21)20(12)13-6-7-17(22-4)18(9-13)23-5/h6-9H,10-11H2,1-5H3
InChI Key:
ZGNPBZFPYVFIAY-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)n1c(C)cc2c1CC(C)(C)CC2=O
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.168g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.397g/mol
Monoisotopic Mass:
313.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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