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31507-96-7 | 2H-Indol-2-one, 5,7-bis(1,1-dimethylethyl)-1,3-dihydro-3,3-dimethyl-
CAS No: 31507-96-7 Catalog No: AG007J4M MDL No:
Product Description
Catalog Number:
AG007J4M
Chemical Name:
2H-Indol-2-one, 5,7-bis(1,1-dimethylethyl)-1,3-dihydro-3,3-dimethyl-
CAS Number:
31507-96-7
Molecular Formula:
C18H27NO
Molecular Weight:
273.4131
IUPAC Name:
5,7-ditert-butyl-3,3-dimethyl-1H-indol-2-one
InChI:
InChI=1S/C18H27NO/c1-16(2,3)11-9-12(17(4,5)6)14-13(10-11)18(7,8)15(20)19-14/h9-10H,1-8H3,(H,19,20)
InChI Key:
QYAXNZSYVPYPMB-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1(C)C)cc(cc2C(C)(C)C)C(C)(C)C
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.209g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.42g/mol
Monoisotopic Mass:
273.209g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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