CAS
99726-99-5 Purity
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99726-99-5 Purity
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Specification
The molecular formula is C10H12O.
The molecular weight is 148.20 g/mol.
It is found in Mangifera indica and Petroselinum crispum.
The IUPAC name is 2-(4-methylphenyl)propanal.
The InChI is InChI=1S/C10H12O/c1-8-3-5-10(6-4-8)9(2)7-11/h3-7,9H,1-2H3.
It has 1 hydrogen bond acceptor.
The topological polar surface area is 17.1 Ų.
The formal charge is 0.
It has 2 rotatable bonds.
The canonical SMILES is CC1=CC=C(C=C1)C(C)C=O.