1,3-Adamantanediacetic acid
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1,3-Adamantanediacetic acid
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CAS No:
17768-28-4
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Formula:
C14H20O4
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Chemical Name:
1,3-Adamantanediacetic acid
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Synonyms:
Tricyclo[3.3.1.13,7]decane-1,3-diacetic acid;1,3-Adamantanediacetic acid;1,3-Bis(carboxymethyl)adamantane;2,2′-(Adamantane-1,3-diyl)diacetic acid;2-[3-(Carboxymethyl)adamantan-1-yl]acetic acid;2-[3-(Carboxymethyl)-1-adamantyl]acetic acid
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CAS No:
Characteristics
74.6
2.04
1.304±0.06 g/cm3(Predicted)
244-244.5 °C @ Solvent: Methanol
453.9±18.0 °C(Predicted)
242.5±17.7 °C
1.574
Safety Information
IRRITANT
NONH for all modes of transport
3
Xi
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:252.31
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:252.13615911
Monoisotopic Mass:252.13615911
Topological Polar Surface Area:74.6
Heavy Atom Count:18
Complexity:353
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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