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Home > Indoles and Oxindole > 17720-64-8
17720-64-8 | 1H-Isoindole-1,3(2H)-dione, 2-(acetyloxy)-
CAS No: 17720-64-8 Catalog No: AG00256S MDL No:
Product Description
Catalog Number:
AG00256S
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(acetyloxy)-
CAS Number:
17720-64-8
Molecular Formula:
C10H7NO4
Molecular Weight:
205.1669
IUPAC Name:
(1,3-dioxoisoindol-2-yl) acetate
InChI:
InChI=1S/C10H7NO4/c1-6(12)15-11-9(13)7-4-2-3-5-8(7)10(11)14/h2-5H,1H3
InChI Key:
IJRNYIWWGDQEIY-UHFFFAOYSA-N
SMILES:
CC(=O)ON1C(=O)c2c(C1=O)cccc2
NSC Number:
101749
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.038g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.169g/mol
Monoisotopic Mass:
205.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Structural, CV and IR spectroscopic evidences for preorientation in PET-active phthalimido carboxylic acids. | Organic letters 20010531 |
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