CAS
97571-68-2 Purity
96%
97571-68-2 Purity
96%
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Methyl 1-oxo-2-phenyl-1H-inden-3-yl carbonate
CAS
97586-18-0
Catalog Number
ACM97586180
Category
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What is the molecular formula of Methyl 1-oxo-2-phenyl-1H-inden-3-yl carbonate?
The molecular formula is C17H12O4.
What is the molecular weight of Methyl 1-oxo-2-phenyl-1H-inden-3-yl carbonate?
The molecular weight is 280.27 g/mol.
What is the IUPAC name of Methyl 1-oxo-2-phenyl-1H-inden-3-yl carbonate?
The IUPAC name is methyl (3-oxo-2-phenylinden-1-yl) carbonate.
What is the InChI code of Methyl 1-oxo-2-phenyl-1H-inden-3-yl carbonate?
The InChI code is InChI=1S/C17H12O4/c1-20-17(19)21-16-13-10-6-5-9-12(13)15(18)14(16)11-7-3-2-4-8-11/h2-10H,1H3.
What is the InChIKey of Methyl 1-oxo-2-phenyl-1H-inden-3-yl carbonate?
The InChIKey is ZFUFPWZKKWYAEM-UHFFFAOYSA-N.
What is the Canonical SMILES of Methyl 1-oxo-2-phenyl-1H-inden-3-yl carbonate?
The Canonical SMILES is COC(=O)OC1=C(C(=O)C2=CC=CC=C21)C3=CC=CC=C3.
What is the XLogP3-AA value of Methyl 1-oxo-2-phenyl-1H-inden-3-yl carbonate?
The XLogP3-AA value is 3.4.
How many hydrogen bond acceptors are in Methyl 1-oxo-2-phenyl-1H-inden-3-yl carbonate?
There are 4 hydrogen bond acceptors.
What is the topological polar surface area of Methyl 1-oxo-2-phenyl-1H-inden-3-yl carbonate?
The topological polar surface area is 52.6 Ų.
Is Methyl 1-oxo-2-phenyl-1H-inden-3-yl carbonate a canonicalized compound?
Yes, the compound is canonicalized.
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