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72002-54-1

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Basic Information
CAS No.: 72002-54-1
Name: D-1,2,3,4-tetrahydronorharmane-3-carboxylic acid
Article Data: 7
Molecular Structure:
Molecular Structure of 72002-54-1 (D-1,2,3,4-tetrahydronorharmane-3-carboxylic acid)
Formula: C12H12N2O2
Molecular Weight: 216.239
Synonyms: 1H-Pyrido[3,4-b]indole-3-carboxylicacid, 2,3,4,9-tetrahydro-, (R)-;(3R)-1,2,3,4-Tetrahydro-9H-pyrido[3,4-b]indole-3-carboxylicacid;(R)-1,2,3,4-Tetrahydro-3-carboxy-2-carboline;D-1,2,3,4-Tetrahydro-3-carboxy-2-carboline;H-D-Tpi-OH;
Density: 1.377 g/cm3
Melting Point: 282 - 284 °C
Boiling Point: 485 °C at 760 mmHg
Flash Point: 247.1 °C
PSA: 65.12000
LogP: 1.59560
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Specification

The D-1,2,3,4-Tetrahydronorharman-3-carboxylic acid, with the CAS registry number 72002-54-1, is also known as (R)-2,3,4,9-Tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid. This chemical's molecular formula is C12H12N2O2 and molecular weight is 216.24. Its systematic name is called (3R)-2,3,4,9-tetrahydro-1H-β-carboline-3-carboxylic acid.

Physical properties of D-1,2,3,4-Tetrahydronorharman-3-carboxylic acid: (1)ACD/LogP: 0.78; (2)#H bond acceptors: 4; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 1; (5)Index of Refraction: 1.692; (6)Molar Refractivity: 60.15 cm3; (7)Molar Volume: 156.9 cm3; (8)Surface Tension: 65.8 dyne/cm; (9)Density: 1.377 g/cm3; (10)Flash Point: 247.1 °C; (11)Enthalpy of Vaporization: 79.04 kJ/mol; (12)Boiling Point: 485 °C at 760 mmHg; (13)Vapour Pressure: 3.22E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H]3NCc1c(c2c(n1)cccc2)C3
(2)InChI: InChI=1/C12H12N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-4,10,13-14H,5-6H2,(H,15,16)/t10-/m1/s1
(3)InChIKey: FSNCEEGOMTYXKY-SNVBAGLBBL