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Home > Indoles and Oxindole > 163083-10-1
163083-10-1 | 1-(4-methoxyphenyl)-2,6,6-trimethyl-4,5,6,7-tetrahydro-1H-indol-4-one
CAS No: 163083-10-1 Catalog No: AG00IVDS MDL No:MFCD03839710
Product Description
Catalog Number:
AG00IVDS
Chemical Name:
1-(4-methoxyphenyl)-2,6,6-trimethyl-4,5,6,7-tetrahydro-1H-indol-4-one
CAS Number:
163083-10-1
Molecular Formula:
C18H21NO2
Molecular Weight:
283.3648
MDL Number:
MFCD03839710
IUPAC Name:
1-(4-methoxyphenyl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
InChI:
InChI=1S/C18H21NO2/c1-12-9-15-16(10-18(2,3)11-17(15)20)19(12)13-5-7-14(21-4)8-6-13/h5-9H,10-11H2,1-4H3
InChI Key:
MOXQEAHYSLVEDS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)n1c(C)cc2c1CC(C)(C)CC2=O
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.157g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.371g/mol
Monoisotopic Mass:
283.157g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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