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5,6,7,8-Tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-ol

5,6,7,8-Tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-ol structure

CAS No:
82-54-2
Formula:
C12H15NO4
Chemical Name:
5,6,7,8-Tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-ol
Synonyms:
1,3-Dioxolo[4,5-g]isoquinolin-5-ol,5,6,7,8-tetrahydro-4-methoxy-6-methyl-;Cotarnine;5,6,7,8-Tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-ol;36647-03-7

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Description

Cotarnine is a member of isoquinolines.

5,6,7,8-Tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-ol Basic Attributes

Molecular Weight：

237.25

Exact Mass：

237.25

EC Number：

201-429-8

NSC Number：

121978

DSSTox ID：

DTXSID80274484

Characteristics

PSA：

51.2 Å²

XLogP3：

0.84060

Density：

1.2026

Melting Point：

132.5 °C (decomp)

Boiling Point：

379.78°C (rough estimate)

Refractive Index：

1.5200 (estimate)

PKA：

12.82±0.20

Safety Information

Packing level：

Hazard category：

6.1(a)

Transport codes：

1544

Drug Information

MeSH Entry Terms：

cotarnine

Computed Properties

Molecular Weight:237.25
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:237.10010796
Monoisotopic Mass:237.10010796
Topological Polar Surface Area:51.2
Heavy Atom Count:17
Complexity:288
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5,6,7,8-Tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-ol

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties

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