CAS
4691-65-0 Purity
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4691-65-0 Purity
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Specification
The molecular formula is C9H8O2.
The molecular weight is 148.16 g/mol.
The IUPAC name is 3,4-dihydroisochromen-1-one.
The Canonical SMILES is C1COC(=O)C2=CC=CC=C21.
The CAS number is 4702-34-5.
The XLogP3-AA value is 1.8.
There are 0 hydrogen bond donor counts.
There are 2 hydrogen bond acceptor counts.
The topological polar surface area is 26.3 ?^2.
There are 0 rotatable bond counts.