2-ACETYL-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXYLIC ACID
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2-ACETYL-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXYLIC ACID
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CAS No:
143767-54-8
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Formula:
C12H13NO3
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Chemical Name:
2-ACETYL-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXYLIC ACID
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Synonyms:
2-ACETYL-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXYLIC ACID;2-ACETYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID;AKOS BB-8837;3-Isoquinolinecarboxylicacid, 2-acetyl-1,2,3,4-tetrahydro-
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CAS No:
2-ACETYL-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXYLIC ACID Basic Attributes
219.24
219.09000
DTXSID00391268
2933499090
Characteristics
57.6
0.98230
1.283±0.06 g/cm3(Predicted)
170-171 °C
465.2±45.0 °C(Predicted)
235.1ºC
1.585
H2O: Slightly soluble (2.9 g/L) (25 ºC)
1.87E-09mmHg at 25°C
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:219.24
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:219.08954328
Monoisotopic Mass:219.08954328
Topological Polar Surface Area:57.6
Heavy Atom Count:16
Complexity:303
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-ACETYL-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXYLIC ACID
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