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92461-32-0 | Benzoic acid, 2-[(2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl)thio]-
CAS No: 92461-32-0 Catalog No: AG006I5Y MDL No:
Product Description
Catalog Number:
AG006I5Y
Chemical Name:
Benzoic acid, 2-[(2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl)thio]-
CAS Number:
92461-32-0
Molecular Formula:
C15H9NO4S
Molecular Weight:
299.3013
IUPAC Name:
2-(1,3-dioxoisoindol-4-yl)sulfanylbenzoic acid
InChI:
InChI=1S/C15H9NO4S/c17-13-9-5-3-7-11(12(9)14(18)16-13)21-10-6-2-1-4-8(10)15(19)20/h1-7H,(H,19,20)(H,16,17,18)
InChI Key:
ZMIQZMJLQSEOJX-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)c2c1c(ccc2)Sc1ccccc1C(=O)O
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.025g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.3g/mol
Monoisotopic Mass:
299.025g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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