CAS
94237-30-6 Purity
96%
94237-30-6 Purity
96%
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Sodium(-)-2-[4-(1,3-dihydro-1-oxo-2H-isoindol-2-ylthio)phenyl]propionate
CAS
94237-38-4
Catalog Number
ACM94237384
Category
Other Products
Molecular Weight
335.352730 [g/mol]
Molecular Formula
C17H15NO3Na
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Specification
Synonyms
EINECS 304-134-3, Sodium (-)-2-(4-(1,3-dihydro-1-oxo-2H-isoindol-2-ylthio)phenyl)propionate, 94237-38-4
IUPAC Name
sodium (2R)-2-[4-[(3-oxo-1H-isoindol-2-yl)sulfanyl]phenyl]propanoate
Canonical SMILES
CC(C1=CC=C(C=C1)SN2CC3=CC=CC=C3C2=O)C(=O)[O-].[Na+]
InChI Key
ZROMPRNVGQDWHE-RFVHGSKJSA-M
EC Number
304-134-3
Exact Mass
335.05900
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of Sodium(-)-2-[4-(1,3-dihydro-1-oxo-2H-isoindol-2-ylthio)phenyl]propionate?
The molecular formula is C17H14NNaO3S.
When was Sodium(-)-2-[4-(1,3-dihydro-1-oxo-2H-isoindol-2-ylthio)phenyl]propionate created?
It was created on 2008-02-05.
What is the molecular weight of Sodium(-)-2-[4-(1,3-dihydro-1-oxo-2H-isoindol-2-ylthio)phenyl]propionate?
The molecular weight is 335.4 g/mol.
What is the IUPAC name of Sodium(-)-2-[4-(1,3-dihydro-1-oxo-2H-isoindol-2-ylthio)phenyl]propionate?
The IUPAC name is sodium;2-[4-[(3-oxo-1H-isoindol-2-yl)sulfanyl]phenyl]propanoate.
What is the Canonical SMILES of Sodium(-)-2-[4-(1,3-dihydro-1-oxo-2H-isoindol-2-ylthio)phenyl]propionate?
The Canonical SMILES is CC(C1=CC=C(C=C1)SN2CC3=CC=CC=C3C2=O)C(=O)[O-].[Na+].
How many hydrogen bond acceptors are present in Sodium(-)-2-[4-(1,3-dihydro-1-oxo-2H-isoindol-2-ylthio)phenyl]propionate?
There are 4 hydrogen bond acceptors.
What is the topological polar surface area of Sodium(-)-2-[4-(1,3-dihydro-1-oxo-2H-isoindol-2-ylthio)phenyl]propionate?
The topological polar surface area is 85.7 Å^2.
How many defined atom stereocenters are present in Sodium(-)-2-[4-(1,3-dihydro-1-oxo-2H-isoindol-2-ylthio)phenyl]propionate?
There are 0 defined atom stereocenters.
Is Sodium(-)-2-[4-(1,3-dihydro-1-oxo-2H-isoindol-2-ylthio)phenyl]propionate canonicalized?
Yes, it is canonicalized.
What is the InChIKey of Sodium(-)-2-[4-(1,3-dihydro-1-oxo-2H-isoindol-2-ylthio)phenyl]propionate?
The InChIKey is ZROMPRNVGQDWHE-UHFFFAOYSA-M.
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94237-39-5 Purity
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94237-39-5 Purity
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