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Home >> Chemical Listing >> Page 3098 >> N-[(1-Cyano-4,7-dihydroxy-3-isoquinolinyl)carbonyl]glycine

N-[(1-Cyano-4,7-dihydroxy-3-isoquinolinyl)carbonyl]glycine
[CAS# 945740-15-8]

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Identification
Name N-[(1-Cyano-4,7-dihydroxy-3-isoquinolinyl)carbonyl]glycine
Synonyms 2-(1-cyano-4,7-dihydroxyisoquinoline-3-carboxamido)acetic acid
Molecular Structure CAS#: 945740-15-8, N-[(1-Cyano-4,7-dihydroxy-3-isoquinolinyl)carbonyl]glycine
Molecular Formula C13H9N3O5
Molecular Weight 287.23
CAS Registry Number 945740-15-8
SMILES c1cc2c(cc1O)c(nc(c2O)C(=O)NCC(=O)O)C#N
InChI 1S/C13H9N3O5/c14-4-9-8-3-6(17)1-2-7(8)12(20)11(16-9)13(21)15-5-10(18)19/h1-3,17,20H,5H2,(H,15,21)(H,18,19)
InChIKey PDZURKICFJDDOM-UHFFFAOYSA-N
Properties
Density 1.699g/cm3 (Cal.)
Boiling point 822.821°C at 760 mmHg (Cal.)
Flash point 451.426°C (Cal.)
Refractive index 1.752 (Cal.)
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