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Entecavir inter-7

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Category Antiviral intermediates
CAS 110567-21-0
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Product Information

Synonyms (1S, 2R)-2-(Benzyloxymethyl)-1-hydroxy-3-cyclopentene; Entecavir inter-7
IUPAC Name (1S,2R)-2-(phenylmethoxymethyl)cyclopent-3-en-1-ol
Molecular Weight 204.26
Molecular Formula C13H16O2
Canonical SMILES C1C=CC(C1O)COCC2=CC=CC=C2
InChI InChI=1S/C13H16O2/c14-13-8-4-7-12(13)10-15-9-11-5-2-1-3-6-11/h1-7,12-14H,8-10H2/t12-,13+/m1/s1
InChIKey WACMQXMZXZTKIV-OLZOCXBDSA-N
Boiling Point 318.9±22.0 °C at 760 mmHg
Flash Point 135.5±16.6 °C
Purity 0.95
Density 1.1±0.1 g/cm3
Solubility In vitro:
10 mM in DMSO
Appearance Solid powder
Storage 2-8 degree Celsius
Complexity 207
Exact Mass 204.115036
Index Of Refraction 1.565
PSA 29.46000
Vapor Pressure 0.0±0.7 mmHg at 25°C
XLogP3-AA 1.9

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