(S)-(+)-KETOPINICACID
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(S)-(+)-KETOPINICACID
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CAS No:
40724-67-2
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Formula:
C10H14O3
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Chemical Name:
(S)-(+)-KETOPINICACID
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Synonyms:
(1S)-(+)-KETOPINIC ACID;(1S)-(+)-KETOPINIC ACID 97+%;(1s)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid;(S)-7,7-DIMETHYL-2-OXO-BICYCLO[2.2.1]HEPTANE-1-CARBOXYLIC ACID;(S)-(+)-KETOPINIC ACID;rac-(1S*,4R*)-2-Oxobornane-10-oic acid;(1S,4R)-2-Oxobornane-10-oic acid;(1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]-1-carboxylic acid
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CAS No:
Characteristics
54.37000
1.46640
1.238±0.06 g/cm3
237-239 °C(lit.)
313.3±25.0 °C(Predicted)
25.5 ° (C=0.65, MeOH)
3.67±0.40
Safety Information
3
36/37/38
26-36
Xi
|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 41 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:182.22
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:182.094294304
Monoisotopic Mass:182.094294304
Topological Polar Surface Area:54.4
Heavy Atom Count:13
Complexity:293
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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