Bisabolol oxide A
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Bisabolol oxide A
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CAS No:
22567-36-8
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Formula:
C15H26O2
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Chemical Name:
Bisabolol oxide A
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Synonyms:
2H-Pyran-3-ol,tetrahydro-2,2,6-trimethyl-6-[(1S)-4-methyl-3-cyclohexen-1-yl]-,(3S,6S)-;2H-Pyran-3-ol,tetrahydro-2,2,6-trimethyl-6-(4-methyl-3-cyclohexen-1-yl)-,(-)-;2H-Pyran-3-ol,tetrahydro-2,2,6-trimethyl-6-(4-methyl-3-cyclohexen-1-yl)-,[3S-[3α,6α(R*)]]-;(3S,6S)-Tetrahydro-2,2,6-trimethyl-6-[(1S)-4-methyl-3-cyclohexen-1-yl]-2H-pyran-3-ol;Bisabolol oxide A;α-Bisabolol oxide A;Bisabolol oxide I;Bisaboloxide A;(-)-α-Bisabolol oxide A;α-Bisabolol oxide
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CAS No:
Safety Information
UN30779/PG3
3
51/53
61
N
P273
H411
|H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|P273, P391, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:238.37
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:238.193280068
Monoisotopic Mass:238.193280068
Topological Polar Surface Area:29.5
Heavy Atom Count:17
Complexity:319
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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