Product Code

TRC-H969865

CAS Number

1187547-40-5

Product Format

Neat

Molecular Formula

C14 H11 N O9 S

Molecular Weight

369.303

Product Categories

TRC

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

4'-Hydroxymethyl Tolcapone Sulfate

CAS Number

1187547-40-5

Molecular Formula

C14 H11 N O9 S

Molecular Weight

369.303

Accurate Mass

369.015

SMILES

OCc1ccc(cc1)C(=O)c2cc(OS(=O)(=O)O)c(O)c(c2)[N+](=O)[O-]

InChI

InChI=1S/C14H11NO9S/c16-7-8-1-3-9(4-2-8)13(17)10-5-11(15(19)20)14(18)12(6-10)24-25(21,22)23/h1-6,16,18H,7H2,(H,21,22,23)

IUPAC

[2-hydroxy-5-[4-(hydroxymethyl)benzoyl]-3-nitrophenyl] hydrogen sulfate

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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4’-Hydroxymethyl Tolcapone Sulfate

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