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4-(4-Isoquinolinyl)Benzoic Acid
[CAS# 216059-93-7]

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Identification
Name 4-(4-Isoquinolinyl)Benzoic Acid
Synonyms BENZOIC ACID,4-(4-ISOQUINOLINYL)-
Molecular Structure CAS#: 216059-93-7, 4-(4-Isoquinolinyl)Benzoic Acid
Molecular Formula C16H11NO2
Molecular Weight 249.26
CAS Registry Number 216059-93-7
SMILES O=C(O)c3ccc(c2c1c(cccc1)cnc2)cc3
InChI 1S/C16H11NO2/c18-16(19)12-7-5-11(6-8-12)15-10-17-9-13-3-1-2-4-14(13)15/h1-10H,(H,18,19)
InChIKey RGMRPLQCSZSHJB-UHFFFAOYSA-N
Properties
Density 1.281g/cm3 (Cal.)
Boiling point 460.604°C at 760 mmHg (Cal.)
Flash point 232.365°C (Cal.)
Refractive index 1.682 (Cal.)
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