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Home > Indoles and Oxindole > 199432-74-1
199432-74-1 | Benzenesulfonic acid, 2-formyl-, 1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl ester
CAS No: 199432-74-1 Catalog No: AG002C49 MDL No:
Product Description
Catalog Number:
AG002C49
Chemical Name:
Benzenesulfonic acid, 2-formyl-, 1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl ester
CAS Number:
199432-74-1
Molecular Formula:
C15H9NO6S
Molecular Weight:
331.3001
IUPAC Name:
(1,3-dioxoisoindol-2-yl) 2-formylbenzenesulfonate
InChI:
InChI=1S/C15H9NO6S/c17-9-10-5-1-4-8-13(10)23(20,21)22-16-14(18)11-6-2-3-7-12(11)15(16)19/h1-9H
InChI Key:
PQDQCGYEVJZHEU-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1S(=O)(=O)ON1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.015g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.298g/mol
Monoisotopic Mass:
331.015g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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