12-pyren-1-yldodecanoic acid
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12-pyren-1-yldodecanoic acid
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CAS No:
69168-45-2
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Formula:
C28H32O2
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Chemical Name:
12-pyren-1-yldodecanoic acid
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Synonyms:
pyrenedodecanoic acid; Pyrene-1-dodecanoic acid; 1-pyrenedoecanoic acid; 1-Pyrenedodecanoic acid; 12-Pdda;
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CAS No:
Safety Information
R36/37/38
S26
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 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:400.6
XLogP3:9.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:12
Exact Mass:400.240230259
Monoisotopic Mass:400.240230259
Topological Polar Surface Area:37.3
Heavy Atom Count:30
Complexity:529
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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