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Basic Information
CAS No.: 91092-92-1
Name: 3-CARBOMETHOXY-1 2 3 4-TETRAHYDROISOQUI&
Molecular Structure:
Molecular Structure of 91092-92-1 (3-CARBOMETHOXY-1 2 3 4-TETRAHYDROISOQUI&)
Formula: C11H9NO4
Molecular Weight: 219.197
Synonyms: methyl 1,4-dioxo-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;3-Carbomethoxy-1,2,3,4-tetrahydroisoquinoline-1,4-dione;
Density: 1.345 g/cm3
Melting Point: 220-224 °C(lit.)
Boiling Point: 481.2 °C at 760 mmHg
Flash Point: 244.8 °C
PSA: 72.47000
LogP: 0.48310
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Specification

The 3-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-1,4-dioxo-, methyl ester, with the CAS registry number 91092-92-1, has the systematic name of methyl 1,4-dioxo-1,2,3,4-tetrahydroisoquinoline-3-carboxylate. It belongs to the product categories: Building Blocks; Heterocyclic Building Blocks; Isoquinolines. And the molecular formula of this chemical is C11H9NO4.

The physical properties of 3-Isoquinolinecarboxylicacid, 1,2,3,4-tetrahydro-1,4-dioxo-, methyl ester are as following: (1)ACD/LogP: 0.02; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 63.68 Å2; (7)Index of Refraction: 1.564; (8)Molar Refractivity: 52.98 cm3; (9)Molar Volume: 162.9 cm3; (10)Polarizability: 21×10-24cm3; (11)Surface Tension: 50.7 dyne/cm; (12)Density: 1.345 g/cm3; (13)Flash Point: 244.8 °C; (14)Enthalpy of Vaporization: 74.58 kJ/mol; (15)Boiling Point: 481.2 °C at 760 mmHg; (16)Vapour Pressure: 2.04E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C2C(=O)c1c(cccc1)C(=O)N2
(2)InChI: InChI=1/C11H9NO4/c1-16-11(15)8-9(13)6-4-2-3-5-7(6)10(14)12-8/h2-5,8H,1H3,(H,12,14)
(3)InChIKey: FQCQGFASLAKUTO-UHFFFAOYAT