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1,3,7-trimethyl-8-propan-2-yloxypurine-2,6-dione

1,3,7-trimethyl-8-propan-2-yloxypurine-2,6-dione structure

CAS No:
5438-73-3
Formula:
C11H16N4O3
Chemical Name:
1,3,7-trimethyl-8-propan-2-yloxypurine-2,6-dione
Synonyms:
8-isopropoxy-1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione; 8-Isopropyloxy-coffein; 8-Isopropoxy-1,3,7-trimethyl-3,7-dihydro-purin-2,6-dion;

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1,3,7-trimethyl-8-propan-2-yloxypurine-2,6-dione Basic Attributes

Molecular Weight：

252.27000

Exact Mass：

252.12224039 g/mol

NSC Number：

14376

DSSTox ID：

DTXSID00279870

Characteristics

PSA：

71.05000

XLogP3：

-0.24210

Density：

1.35g/cm3

Boiling Point：

399.3ºC

Flash Point：

195.3ºC

Refractive Index：

1.616

Computed Properties

Molecular Weight:252.27
XLogP3:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:252.12224039
Monoisotopic Mass:252.12224039
Topological Polar Surface Area:67.7
Heavy Atom Count:18
Complexity:373
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3,7-trimethyl-8-propan-2-yloxypurine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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