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878284-70-9 | Acetic acid, [(1-oxo-1H-isoindol-3-yl)oxy]-, ethyl ester
CAS No: 878284-70-9 Catalog No: AG004ENZ MDL No:
Product Description
Catalog Number:
AG004ENZ
Chemical Name:
Acetic acid, [(1-oxo-1H-isoindol-3-yl)oxy]-, ethyl ester
CAS Number:
878284-70-9
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
IUPAC Name:
ethyl 2-(3-oxoisoindol-1-yl)oxyacetate
InChI:
InChI=1S/C12H11NO4/c1-2-16-10(14)7-17-12-9-6-4-3-5-8(9)11(15)13-12/h3-6H,2,7H2,1H3
InChI Key:
YTGCSEJRQPFZTR-UHFFFAOYSA-N
SMILES:
CCOC(=O)COC1=NC(=O)c2c1cccc2
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.223g/mol
Monoisotopic Mass:
233.069g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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