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ethyl 3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carboxylate

ethyl 3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carboxylate structure

CAS No:
105340-73-6
Formula:
C12H15NO3
Chemical Name:
ethyl 3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carboxylate
Synonyms:
Ethyl 3-oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxylate;105340-73-6;NSC611208;ethyl 3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carboxylate;ZINC17175701;Isoquinoline-4-carboxylic acid, 3-oxo-2,3,5,6,7,8-hexahydro-, ethyl ester;NSC-611208;Ethyl 3-hydroxy-5,6,7,8-tetrahydroisoquinoline-4-carboxylate;3-Oxo-2,3,5,6,7,8-hexahydro-isoquinoline-4-carboxylic acid ethyl ester

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ethyl 3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carboxylate Basic Attributes

Molecular Weight：

221.25 g/mol

Exact Mass：

221.10519334 g/mol

NSC Number：

611208

Characteristics

PSA：

55.4 Å²

Computed Properties

Molecular Weight:221.25
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:221.10519334
Monoisotopic Mass:221.10519334
Topological Polar Surface Area:55.4
Heavy Atom Count:16
Complexity:393
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carboxylate

Basic Attributes
Characteristics
Computed Properties
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