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Home > Indoles and Oxindole > 35750-04-0
35750-04-0 | 2-(3-hydroxy-2-oxopropyl)-2,3-dihydro-1H-isoindole-1,3-dione
CAS No: 35750-04-0 Catalog No: AG01C52B MDL No:MFCD21876296
Product Description
Catalog Number:
AG01C52B
Chemical Name:
2-(3-hydroxy-2-oxopropyl)-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
35750-04-0
Molecular Formula:
C11H9NO4
Molecular Weight:
219.1935
MDL Number:
MFCD21876296
IUPAC Name:
2-(3-hydroxy-2-oxopropyl)isoindole-1,3-dione
InChI:
InChI=1S/C11H9NO4/c13-6-7(14)5-12-10(15)8-3-1-2-4-9(8)11(12)16/h1-4,13H,5-6H2
InChI Key:
XXLUQLNZGKMPSM-UHFFFAOYSA-N
SMILES:
OCC(=O)CN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.053g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.196g/mol
Monoisotopic Mass:
219.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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