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23244-58-8 | 2H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-, methyl ester
CAS No: 23244-58-8 Catalog No: AG002MNP MDL No:MFCD00158668
Product Description
Catalog Number:
AG002MNP
Chemical Name:
2H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-, methyl ester
CAS Number:
23244-58-8
Molecular Formula:
C11H9NO4
Molecular Weight:
219.1935
MDL Number:
MFCD00158668
IUPAC Name:
methyl 2-(1,3-dioxoisoindol-2-yl)acetate
InChI:
InChI=1S/C11H9NO4/c1-16-9(13)6-12-10(14)7-4-2-3-5-8(7)11(12)15/h2-5H,6H2,1H3
InChI Key:
JINKRJDUNDRREU-UHFFFAOYSA-N
SMILES:
COC(=O)CN1C(=O)c2c(C1=O)cccc2
NSC Number:
126803
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:
0
Isotope Atom Count:
0
Molecular Weight:
219.196g/mol
Monoisotopic Mass:
219.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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