3-Methylxanthine

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Catalog Number

ACM1076228

Product Name

3-Methylxanthine

Structure

CAS

1076-22-8

Category

Heterocyclic Organic Compound

Synonyms

2,6-Dihydroxy-3-methylpurine

Molecular Weight

166.14

Molecular Formula

C₆H₆N₄O₂

InChI

InChI=1S/C6H6N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12)

InChI Key

GMSNIKWWOQHZGF-UHFFFAOYSA-N

Melting Point

>300 °C

Complexity

242

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Exact Mass

166.04907545

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Monoisotopic Mass

166.04907545

Physical State

Solid

Rotatable Bond Count

Topological Polar Surface Area

78.1 Å²

MSDS

COA

Spec Sheet

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