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1448189-64-7 | (2S)-3,3-Dimethyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid
CAS No: 1448189-64-7 Catalog No: AG01FGQ4 MDL No:
Product Description
Catalog Number:
AG01FGQ4
Chemical Name:
(2S)-3,3-Dimethyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid
CAS Number:
1448189-64-7
IUPAC Name:
3,3-dimethyl-2-(3-oxo-1H-isoindol-2-yl)butanoic acid
InChI:
InChI=1S/C14H17NO3/c1-14(2,3)11(13(17)18)15-8-9-6-4-5-7-10(9)12(15)16/h4-7,11H,8H2,1-3H3,(H,17,18)
InChI Key:
MXATWGSJZOCHSJ-UHFFFAOYSA-N
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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