What is the molecular formula of 5-Aminoisochroman-1-one?
The molecular formula of 5-Aminoisochroman-1-one is C9H9NO2.
What is the molecular weight of 5-Aminoisochroman-1-one?
The molecular weight of 5-Aminoisochroman-1-one is 163.17 g/mol.
What is the IUPAC name of 5-Aminoisochroman-1-one?
The IUPAC name of 5-Aminoisochroman-1-one is 5-amino-3,4-dihydroisochromen-1-one.
What is the InChI of 5-Aminoisochroman-1-one?
The InChI of 5-Aminoisochroman-1-one is InChI=1S/C9H9NO2/c10-8-3-1-2-7-6(8)4-5-12-9(7)11/h1-3H,4-5,10H2.
What is the InChIKey of 5-Aminoisochroman-1-one?
The InChIKey of 5-Aminoisochroman-1-one is AMUHXYUXPWMUHU-UHFFFAOYSA-N.
What is the canonical SMILES of 5-Aminoisochroman-1-one?
The canonical SMILES of 5-Aminoisochroman-1-one is C1COC(=O)C2=C1C(=CC=C2)N.
What is the XLogP3-AA value of 5-Aminoisochroman-1-one?
The XLogP3-AA value of 5-Aminoisochroman-1-one is 1.1.
How many hydrogen bond donor counts does 5-Aminoisochroman-1-one have?
5-Aminoisochroman-1-one has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does 5-Aminoisochroman-1-one have?
5-Aminoisochroman-1-one has 3 hydrogen bond acceptor counts.
How many rotatable bond counts does 5-Aminoisochroman-1-one have?
5-Aminoisochroman-1-one has 0 rotatable bond counts.
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![2,5-Dichloro-4-[4,5-dihydro-3-methyl-5-oxo-4-[[3-[(phenylamino)sulphonyl]phenyl]azo]-1H-pyrazol-1-yl]benzenesulphonic acid](https://resource.alfa-chemistry.com/structure/91101-21-2.gif)
