Home Other Building Blocks 1-Methyl-1H-purine-2,6(3H,7H)-dione

1-Methyl-1H-purine-2,6(3H,7H)-dione

CAS No.:
6136-37-4
Catalog Number:
AG003EJ2
Molecular Formula:
C6H6N4O2
Molecular Weight:
166.1374
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$285
- +
1g
95%
In Stock USA
United States
$720
- +
Product Description
Catalog Number:
AG003EJ2
Chemical Name:
1-Methyl-1H-purine-2,6(3H,7H)-dione
CAS Number:
6136-37-4
Molecular Formula:
C6H6N4O2
Molecular Weight:
166.1374
MDL Number:
MFCD00005561
IUPAC Name:
1-methyl-3,7-dihydropurine-2,6-dione
InChI:
InChI=1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12)
InChI Key:
MVOYJPOZRLFTCP-UHFFFAOYSA-N
SMILES:
Cn1c(=O)[nH]c2c(c1=O)[nH]cn2
EC Number:
228-108-5
UNII:
7EE8WCA32U
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.049g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
166.14g/mol
Monoisotopic Mass:
166.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Literature
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Properties