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Home > Indoles and Oxindole > 89482-47-3
89482-47-3 | 1-Butanol, 3-[(1,3-dihydro-1,1,3,3-tetramethyl-2H-isoindol-2-yl)oxy]-
CAS No: 89482-47-3 Catalog No: AG0041MC MDL No:
Product Description
Catalog Number:
AG0041MC
Chemical Name:
1-Butanol, 3-[(1,3-dihydro-1,1,3,3-tetramethyl-2H-isoindol-2-yl)oxy]-
CAS Number:
89482-47-3
Molecular Formula:
C16H25NO2
Molecular Weight:
263.3752
IUPAC Name:
3-(1,1,3,3-tetramethylisoindol-2-yl)oxybutan-1-ol
InChI:
InChI=1S/C16H25NO2/c1-12(10-11-18)19-17-15(2,3)13-8-6-7-9-14(13)16(17,4)5/h6-9,12,18H,10-11H2,1-5H3
InChI Key:
CNCNGLQCKNRPEW-UHFFFAOYSA-N
SMILES:
OCCC(ON1C(C)(C)c2c(C1(C)C)cccc2)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.189g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.381g/mol
Monoisotopic Mass:
263.189g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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