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Caffeine

CAS No.:
58-08-2
Catalog Number:
AG0039J9
Molecular Formula:
C8H10N4O2
Molecular Weight:
194.1906
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$19
- +
100g
95%
In Stock USA
United States
$50
- +
500g
95%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG0039J9
Chemical Name:
Caffeine
CAS Number:
58-08-2
Molecular Formula:
C8H10N4O2
Molecular Weight:
194.1906
MDL Number:
MFCD09039097
IUPAC Name:
1,3,7-trimethylpurine-2,6-dione
InChI:
InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
InChI Key:
RYYVLZVUVIJVGH-UHFFFAOYSA-N
SMILES:
Cn1cnc2c1c(=O)n(C)c(=O)n2C
EC Number:
200-362-1
UNII:
3G6A5W338E
FEMA Number:
2224
RTECS Number:
EV6475000
UN Number:
1544
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.08g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.194g/mol
Monoisotopic Mass:
194.08g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties