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Home > Indoles and Oxindole > 142968-59-0
142968-59-0 | 1H-Isoindole, 2,3-dihydro-1,1,3,3,5-pentamethyl-
CAS No: 142968-59-0 Catalog No: AG006X4D MDL No:
Product Description
Catalog Number:
AG006X4D
Chemical Name:
1H-Isoindole, 2,3-dihydro-1,1,3,3,5-pentamethyl-
CAS Number:
142968-59-0
Molecular Formula:
C13H19N
Molecular Weight:
189.2967
IUPAC Name:
1,1,3,3,5-pentamethyl-2H-isoindole
InChI:
InChI=1S/C13H19N/c1-9-6-7-10-11(8-9)13(4,5)14-12(10,2)3/h6-8,14H,1-5H3
InChI Key:
QGRJQJJYNYAWGV-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)C(C)(C)NC2(C)C
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.152g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.302g/mol
Monoisotopic Mass:
189.152g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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