CAS
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1,3-Dioxo-2-phenethyl-2,3-dihydro-1H-isoindole-5-carboxylic acid
Catalog Number
ACMA00001163
Category
Amines
Molecular Weight
295.29
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Specification
Hazard Statements
H315-H319-H335-H400
RIDADR
UN 3259PSN1 8 / PGII
Symbol
GHS07
What is the molecular formula of 1,3-Dioxo-2-phenethyl-2,3-dihydro-1H-isoindole-5-carboxylic acid?
The molecular formula is C17H13NO4.
What is the molecular weight of 1,3-Dioxo-2-phenethyl-2,3-dihydro-1H-isoindole-5-carboxylic acid?
The molecular weight is 295.29 g/mol.
What is the IUPAC name of 1,3-Dioxo-2-phenethyl-2,3-dihydro-1H-isoindole-5-carboxylic acid?
The IUPAC name is 1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxylic acid.
What is the InChI of 1,3-Dioxo-2-phenethyl-2,3-dihydro-1H-isoindole-5-carboxylic acid?
The InChI is InChI=1S/C17H13NO4/c19-15-13-7-6-12(17(21)22)10-14(13)16(20)18(15)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,21,22).
What is the InChIKey of 1,3-Dioxo-2-phenethyl-2,3-dihydro-1H-isoindole-5-carboxylic acid?
The InChIKey is ICDZUDIRGRAYIV-UHFFFAOYSA-N.
What is the canonical SMILES of 1,3-Dioxo-2-phenethyl-2,3-dihydro-1H-isoindole-5-carboxylic acid?
The canonical SMILES is C1=CC=C(C=C1)CCN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O.
What is the XLogP3-AA value of 1,3-Dioxo-2-phenethyl-2,3-dihydro-1H-isoindole-5-carboxylic acid?
The XLogP3-AA value is 2.4.
How many hydrogen bond donor counts are there in 1,3-Dioxo-2-phenethyl-2,3-dihydro-1H-isoindole-5-carboxylic acid?
There is one hydrogen bond donor count.
How many hydrogen bond acceptor counts are there in 1,3-Dioxo-2-phenethyl-2,3-dihydro-1H-isoindole-5-carboxylic acid?
There are four hydrogen bond acceptor counts.
How many rotatable bond counts are there in 1,3-Dioxo-2-phenethyl-2,3-dihydro-1H-isoindole-5-carboxylic acid?
There are four rotatable bond counts.
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