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3-(3-Isoquinolinyl)propanoic acid
[CAS# 770721-18-1]

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Identification
Name 3-(3-Isoquinolinyl)propanoic acid
Molecular Structure CAS#: 770721-18-1, 3-(3-Isoquinolinyl)propanoic acid
Molecular Formula C12H11NO2
Molecular Weight 201.22
CAS Registry Number 770721-18-1
SMILES c1ccc2cnc(cc2c1)CCC(=O)O
InChI 1S/C12H11NO2/c14-12(15)6-5-11-7-9-3-1-2-4-10(9)8-13-11/h1-4,7-8H,5-6H2,(H,14,15)
InChIKey HMQKCTKAHSKQKD-UHFFFAOYSA-N
Properties
Density 1.252g/cm3 (Cal.)
Boiling point 396.146°C at 760 mmHg (Cal.)
Flash point 193.382°C (Cal.)
Refractive index 1.64 (Cal.)
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