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methyl 2-hydroxy-5-iodo-3-methoxybenzoate

methyl 2-hydroxy-5-iodo-3-methoxybenzoate

Formula: C9H9IO4

SMILES: COC(=O)C1=C(O)C(OC)=CC(I)=C1

IUPAC: methyl 2-hydroxy-5-iodo-3-methoxybenzoate

InChI: InChI=1S/C9H9IO4/c1-13-7-4-5(10)3-6(8(7)11)9(12)14-2/h3-4,11H,1-2H3

Composition: C (35.09%), H (2.94%), I (41.19%), O (20.77%)

Molar Mass: 308.071

Atom Count: 23

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 307.95455
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey JYTMDVNRUGDPQX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.89
Topological Polar Surface Area 55.76
Polarizability 23.26
Ring Count 1
Rotatable Bond Count 3

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Chemcia Scientific, LLC
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Purity LeadTime Formula PacketSize UnitPrice
97% <2 Days C9H9IO4 $224.25-$1,144.25$224.25$736.00$1,144.25
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