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113682-25-0 | 1H-Isoindole-1,3(2H)-dione, 2-[1-(1,1-dimethylethoxy)-2-hydroxyethyl]-
CAS No: 113682-25-0 Catalog No: AG0009B5 MDL No:
Product Description
Catalog Number:
AG0009B5
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[1-(1,1-dimethylethoxy)-2-hydroxyethyl]-
CAS Number:
113682-25-0
Molecular Formula:
C14H17NO4
Molecular Weight:
263.2891
IUPAC Name:
2-[2-hydroxy-1-[(2-methylpropan-2-yl)oxy]ethyl]isoindole-1,3-dione
InChI:
InChI=1S/C14H17NO4/c1-14(2,3)19-11(8-16)15-12(17)9-6-4-5-7-10(9)13(15)18/h4-7,11,16H,8H2,1-3H3
InChI Key:
ISKLKHYOZPHIJA-UHFFFAOYSA-N
SMILES:
OCC(N1C(=O)c2c(C1=O)cccc2)OC(C)(C)C
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.293g/mol
Monoisotopic Mass:
263.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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