ISOQUINOLINE-1-CARBOXYLIC ACID METHYL ESTER
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ISOQUINOLINE-1-CARBOXYLIC ACID METHYL ESTER
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CAS No:
27104-72-9
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Formula:
C11H9NO2
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Chemical Name:
ISOQUINOLINE-1-CARBOXYLIC ACID METHYL ESTER
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Synonyms:
ISOQUINOLINE-1-CARBOXYLIC ACID METHYL ESTER;1-Isoquinolinecarboxylic acid methyl ester;Methyl 1-isoquinolinecarboxylate;Methyl isoquinoline-1-carboxylate
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CAS No:
ISOQUINOLINE-1-CARBOXYLIC ACID METHYL ESTER Basic Attributes
187.198
187.06300
DTXSID60611313
2933499090
ISOQUINOLINE-1-CARBOXYLIC ACID METHYL ESTER Use and Manufacturing
To a solution of isoquinoline-1-carboxylic acid (10 g, 57.74 mmol) in MeOH (150 mL) was added concentrated sulfuric acid (15 mL) at 0° C. To a suspension of 1-isoquinoline carboxylic acid (3.00 g, 17.3 mmol) in MeOH (30 mL) was added SOCl
Computed Properties
Molecular Weight:187.19
XLogP3:2.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:187.063328530
Monoisotopic Mass:187.063328530
Topological Polar Surface Area:39.2
Heavy Atom Count:14
Complexity:217
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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ISOQUINOLINE-1-CARBOXYLIC ACID METHYL ESTER
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