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1,3,7-trimethyl-8-prop-2-enoxypurine-2,6-dione

1,3,7-trimethyl-8-prop-2-enoxypurine-2,6-dione structure

CAS No:
6287-60-1
Formula:
C11H14N4O3
Chemical Name:
1,3,7-trimethyl-8-prop-2-enoxypurine-2,6-dione
Synonyms:
8-Allyloxycaffeine;UNII-5LL9N7JP3P;6287-60-1;5LL9N7JP3P;8-(allyloxy)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione;Caffeine, 8-(allyloxy)-;NSC8814;Caffeine, 8-(allyloxy)- (8CI);NSC 8814;Cambridge id 6905405;Oprea1_450633;1,3,7-trimethyl-8-prop-2-enoxypurine-2,6-dione;MLS000112856;CHEMBL1495972;DTXSID30212038;HMS2483K14;NSC-8814;ZINC1648247;STK028485;AKOS003234725;MCULE-8999865498;SMR000108764;ST081351;EU-0085361;SR-01000524073;SR-01000524073-1;Q27262530;1,3,7-trimethyl-8-prop-2-enyloxy-1,3,7-trihydropurine-2,6-dione;1,3,7-trimethyl-8-(prop-2-en-1-yloxy)-3,7-dihydro-1H-purine-2,6-dione

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1,3,7-trimethyl-8-prop-2-enoxypurine-2,6-dione Basic Attributes

Molecular Weight：

250.25 g/mol

Exact Mass：

250.10659032 g/mol

UNII：

5LL9N7JP3P

NSC Number：

8814

DSSTox ID：

DTXSID30212038

Characteristics

PSA：

67.7 Å²

Computed Properties

Molecular Weight:250.25
XLogP3:0.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:250.10659032
Monoisotopic Mass:250.10659032
Topological Polar Surface Area:67.7
Heavy Atom Count:18
Complexity:387
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3,7-trimethyl-8-prop-2-enoxypurine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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