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215436-07-0 | 1H-Isoindole-1,3(2H)-dione, 2-[(1R)-1-(hydroxymethyl)-3-methylbutyl]-
CAS No: 215436-07-0 Catalog No: AG007Q3W MDL No:
Product Description
Catalog Number:
AG007Q3W
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(1R)-1-(hydroxymethyl)-3-methylbutyl]-
CAS Number:
215436-07-0
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
IUPAC Name:
2-[(2R)-1-hydroxy-4-methylpentan-2-yl]isoindole-1,3-dione
InChI:
InChI=1S/C14H17NO3/c1-9(2)7-10(8-16)15-13(17)11-5-3-4-6-12(11)14(15)18/h3-6,9-10,16H,7-8H2,1-2H3/t10-/m1/s1
InChI Key:
CWDOPTSHRUOSOF-SNVBAGLBSA-N
SMILES:
OC[C@H](N1C(=O)c2c(C1=O)cccc2)CC(C)C
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
4
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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