1076-22-8 | 3-Methylxanthine

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$6.00	$4.00
5g	98%	in stock	$13.00	$9.00
25g	98%	in stock	$42.00	$30.00
100g	98%	in stock	$90.00	$63.00
500g	98%	in stock	$267.00	$187.00

Description

• Catalog Number: AB44652
• Chemical Name: 3-Methylxanthine
• CAS Number: 1076-22-8
• Molecular Formula: C6H6N4O2
• Molecular Weight: 166.1374
• MDL Number: MFCD00005580
• SMILES: O=c1[nH]c(=O)c2c(n1C)nc[nH]2
• NSC Number: 515466

Computed Properties

• Complexity: 242
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 2
• XLogP3: -0.7

Literature

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