(2-ACETYL-1,2-DIHYDROISOQUINOLIN-1-YL)ACETIC ACID
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(2-ACETYL-1,2-DIHYDROISOQUINOLIN-1-YL)ACETIC ACID
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CAS No:
58246-00-7
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Formula:
C13H13NO3
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Chemical Name:
(2-ACETYL-1,2-DIHYDROISOQUINOLIN-1-YL)ACETIC ACID
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Synonyms:
(2-acetyl-1,2-dihydroisoquinolin-1-yl)acetic acid;2-(2-acetyl-1,2-dihydroisoquinolin-1-yl)acetic acid;2-(2-acetyl-1,2-dihydroisoquinolyl)acetic acid;2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid;AF-399/25070002;SCHEMBL4664738;CTK5A8057;DTXSID50377890;HMS1737I20;KS-00003QQ1
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CAS No:
(2-ACETYL-1,2-DIHYDROISOQUINOLIN-1-YL)ACETIC ACID Basic Attributes
231.251
231.09000
DTXSID50377890
2933499090
Characteristics
57.6
1.97310
1.256g/cm3
161-162 °C(Solv: acetone (67-64-1))
511.2ºC at 760 mmHg
263ºC
1.585
Safety Information
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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:231.25
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:231.08954328
Monoisotopic Mass:231.08954328
Topological Polar Surface Area:57.6
Heavy Atom Count:17
Complexity:351
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(2-ACETYL-1,2-DIHYDROISOQUINOLIN-1-YL)ACETIC ACID
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