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1044764-16-0

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Basic Information
CAS No.: 1044764-16-0
Name: 1,2,3,4-Tetrahydro-isoquinoline-5-carboxylic acid
Molecular Structure:
Molecular Structure of 1044764-16-0 (1,2,3,4-Tetrahydro-isoquinoline-5-carboxylic acid)
Formula: C10H11NO2
Molecular Weight: 177.203
Synonyms: 5-Isoquinolinecarboxylicacid;1,2,3,4-Tetrahydro-isoquinoline-5-carboxylic acid;5-Carboxyisoquinoline;
Density: 1.223 g/cm3
Boiling Point: 364.5 °C at 760 mmHg
Flash Point: 174.2 °C
PSA: 49.33000
LogP: 1.35930
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Specification

The CAS registry number of 1,2,3,4-Tetrahydro-isoquinoline-5-carboxylic acid is 1044764-16-0. In addition, the molecular formula is C10H11NO2 and the molecular weight is 177.08. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about 1,2,3,4-Tetrahydro-isoquinoline-5-carboxylic acid are: (1)ACD/LogP: 1.08; (2)#H bond acceptors: 3; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 49.33 Å2; (6)Index of Refraction: 1.587; (7)Molar Refractivity: 48.7 cm3; (8)Molar Volume: 144.8 cm3; (9)Polarizability: 19.3 ×10-24cm3; (10)Surface Tension: 51.7 dyne/cm; (11)Density: 1.223 g/cm3; (12)Flash Point: 174.2 °C; (13)Enthalpy of Vaporization: 64.43 kJ/mol; (14)Boiling Point: 364.5 °C at 760 mmHg; (15)Vapour Pressure: 5.96E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(c(c1)C(=O)O)CCNC2
(2)Std. InChI: InChI=1S/C10H11NO2/c12-10(13)9-3-1-2-7-6-11-5-4-8(7)9/h1-3,11H,4-6H2,(H,12,13)
(3)Std. InChIKey: UIVYUTLYDWQGPA-UHFFFAOYSA-N