CAS
36310-05-1 Purity
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36310-05-1 Purity
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Specification
The molecular formula is C10H13ClO3.
The molecular weight is 216.66 g/mol.
The IUPAC name is 5-(chloromethyl)-1,2,3-trimethoxybenzene.
The InChI is InChI=1S/C10H13ClO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,6H2,1-3H3.
The InChIKey is XXRUQNNAKXZSOS-UHFFFAOYSA-N.
The canonical SMILES is COC1=CC(=CC(=C1OC)OC)CCl.
The CAS number is 3840-30-0.
The EC number is 223-330-9.
It has 3 hydrogen bond acceptor counts.
It has 4 rotatable bond counts.