3-(1-Adamantyl)propanoic acid
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3-(1-Adamantyl)propanoic acid
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CAS No:
16269-16-2
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Formula:
C13H20O2
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Chemical Name:
3-(1-Adamantyl)propanoic acid
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Synonyms:
Tricyclo[3.3.1.13,7]decane-1-propanoic acid;1-Adamantanepropionic acid;3-(1-Adamantyl)propionic acid;3-Adamantan-1-ylpropionic acid;3-(1-Adamantyl)propanoic acid
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CAS No:
Characteristics
37.3
3.06760
1.138±0.06 g/cm3(Predicted)
147-149°C
333.9±10.0 °C(Predicted)
168.3ºC
1.542
Safety Information
IRRITANT
36/37/38
26-36/37/39
Xi
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 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:208.30
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:208.146329876
Monoisotopic Mass:208.146329876
Topological Polar Surface Area:37.3
Heavy Atom Count:15
Complexity:241
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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