(±)-Indoline-2-carboxylic acid
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(±)-Indoline-2-carboxylic acid
structure -
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CAS No:
78348-24-0
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Formula:
C9H9NO2
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Chemical Name:
(±)-Indoline-2-carboxylic acid
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Synonyms:
1H-Indole-2-carboxylic acid,2,3-dihydro-;2,3-Dihydro-1H-indole-2-carboxylic acid;Indoline-2-carboxylic acid;2,3-Dihydroindole-2-carboxylic acid;(±)-2,3-Dihydroindole-2-carboxylic acid;(±)-Indoline-2-carboxylic acid;16851-56-2
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CAS No:
Characteristics
49.33000
1.24580
Solid.
1.286±0.06 g/cm3
168 °C (dec.) (lit.)
380.0±31.0 °C(Predicted)
183.6ºC
Insoluble in water.
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
2.04±0.20
Safety Information
3
43-48/22-62
22-36/37
Xn,Xi
P280
H317; H361
|Warning|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P201, P202, P261, P272, P280, P281, P302+P352, P308+P313, P321, P333+P313, P363, P405, and P501|Aggregated GHS information provided by 44 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:163.17
XLogP3:1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:163.063328530
Monoisotopic Mass:163.063328530
Topological Polar Surface Area:49.3
Heavy Atom Count:12
Complexity:193
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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