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Home > Indoles and Oxindole > 86043-06-3
86043-06-3 | Spiro[1H-isoindole-1,2'-oxetan]-3(2H)-one, 2,3',3',4',4'-pentamethyl-
CAS No: 86043-06-3 Catalog No: AG004V15 MDL No:
Product Description
Catalog Number:
AG004V15
Chemical Name:
Spiro[1H-isoindole-1,2'-oxetan]-3(2H)-one, 2,3',3',4',4'-pentamethyl-
CAS Number:
86043-06-3
Molecular Formula:
C15H19NO2
Molecular Weight:
245.3169
IUPAC Name:
2,2',2',3',3'-pentamethylspiro[isoindole-3,4'-oxetane]-1-one
InChI:
InChI=1S/C15H19NO2/c1-13(2)14(3,4)18-15(13)11-9-7-6-8-10(11)12(17)16(15)5/h6-9H,1-5H3
InChI Key:
OKFLXUFOGSACGQ-UHFFFAOYSA-N
SMILES:
CN1C(=O)c2c(C31OC(C3(C)C)(C)C)cccc2
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.142g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.322g/mol
Monoisotopic Mass:
245.142g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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