Basic information
- Name:
3-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-7-hydroxy-, (3R)-
- Superlist Name:
- D-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
- CAS No.:
152286-30-1
- Molecular Structure:
- Formula:
- C10H11NO3
- Molecular Weight:
- 193.20
- Synonyms:
- 3-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-7-hydroxy-, (R)-;(R)-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylicacid;7-Hydroxy-(3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;D-1,2,3,4-Tetrahydro-7-hydroxyisoquinoline-3-carboxylic;D-1,2,3,4-Tetrahydro-7-hydroxyisoquinoline-3-carboxylic acid;D-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;
- Density:
- 1.351 g/cm3
- Boiling Point:
- 456.3 °C at 760 mmHg
- Flash Point:
- 229.8 °C
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Specification
The CAS register number of D-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid is 152286-30-1. It also can be called as 3-isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-7-hydroxy- and the IUPAC name about this chemical is (3R)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid. The molecular formula about this chemical is C10H11NO3 and the molecular weight is 193.20.
Physical properties about D-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid are: (1)ACD/LogP: 0.12; (2)ACD/LogD (pH 5.5): -2.38; (3)ACD/LogD (pH 7.4): -2.38; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 38.77Å2; (12)Index of Refraction: 1.612; (13)Molar Refractivity: 49.76 cm3; (14)Molar Volume: 142.9 cm3; (15)Polarizability: 19.72x10-24cm3; (16)Surface Tension: 58.9 dyne/cm; (17)Enthalpy of Vaporization: 75.47 kJ/mol; (18)Boiling Point: 456.3 °C at 760 mmHg; (19)Vapour Pressure: 4.06E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C2NCc1cc(O)ccc1C2
(2)InChI: InChI=1/C10H11NO3/c12-8-2-1-6-4-9(10(13)14)11-5-7(6)3-8/h1-3,9,11-12H,4-5H2,(H,13,14)
(3)InChIKey: HIKCRLDSCSWXML-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C10H11NO3/c12-8-2-1-6-4-9(10(13)14)11-5-7(6)3-8/h1-3,9,11-12H,4-5H2,(H,13,14)
(5)Std. InChIKey: HIKCRLDSCSWXML-UHFFFAOYSA-N