1-Isoquinolinecarboxylic acid
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1-Isoquinolinecarboxylic acid
structure -
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CAS No:
486-73-7
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Formula:
C10H7NO2
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Chemical Name:
1-Isoquinolinecarboxylic acid
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Synonyms:
1-Isoquinolinecarboxylic acid;Isoquinaldic acid;1-Carboxyisoquinoline;NSC 218351
- Categories:
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CAS No:
1-Isoquinolinecarboxylic acid Basic Attributes
173.17
173.17
129177
207-639-6
218351
DTXSID60197566
29334990
Characteristics
50.2
2.1
yellow to brown powder
0.932 g/mL at 20 °C(lit.)
246-248 °C
68-69 °C(lit.)
8 °F
n20/D 1.358(lit.)
0-6°C
2.64E-07mmHg at 25°C
3.59 (vs air)
Safety Information
IRRITANT
UN 2416 3/PG 2
3
11-21-23/25-36/37/38-39/23/24/25-23/24/25-10
22-24/25-45-36/37/39-27-16-36-26-36/37-25-23
ED5600000
Xn,Xi,T,F
Stable under normal temperatures and pressures.
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:173.17
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:173.047678466
Monoisotopic Mass:173.047678466
Topological Polar Surface Area:50.2
Heavy Atom Count:13
Complexity:205
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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