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Home > Indoles and Oxindole > 627836-52-6
627836-52-6 | 2,6,6-trimethyl-1-[4-(propan-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indol-4-one
CAS No: 627836-52-6 Catalog No: AG00IZTO MDL No:MFCD03839708
Product Description
Catalog Number:
AG00IZTO
Chemical Name:
2,6,6-trimethyl-1-[4-(propan-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indol-4-one
CAS Number:
627836-52-6
Molecular Formula:
C20H25NO
Molecular Weight:
295.4186
MDL Number:
MFCD03839708
IUPAC Name:
2,6,6-trimethyl-1-(4-propan-2-ylphenyl)-5,7-dihydroindol-4-one
InChI:
InChI=1S/C20H25NO/c1-13(2)15-6-8-16(9-7-15)21-14(3)10-17-18(21)11-20(4,5)12-19(17)22/h6-10,13H,11-12H2,1-5H3
InChI Key:
XLMYVHVPRBSNDI-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)n1c(C)cc2c1CC(C)(C)CC2=O)C
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.194g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.426g/mol
Monoisotopic Mass:
295.194g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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