Yohimbic acid
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Yohimbic acid
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CAS No:
522-87-2
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Formula:
C20H24N2O3
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Chemical Name:
Yohimbic acid
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Synonyms:
Yohimban-16-carboxylic acid,17-hydroxy-,(16α,17α)-;Yohimbic acid;Benz[g]indolo[2,3-a]quinolizine,yohimban-16-carboxylic acid deriv.;(16α,17α)-17-Hydroxyyohimban-16-carboxylic acid;Yohimbinic acid;Yohimbolcarboxylic acid;NSC 95096;Yohimbine acid;2468242-04-6
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CAS No:
Characteristics
76.56000
2.49660
1.39g/cm3
280-300 °C
600ºC at 760mmHg
316.6ºC
1.702
181.7 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Computed Properties
Molecular Weight:340.4
XLogP3:0.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:340.17869263
Monoisotopic Mass:340.17869263
Topological Polar Surface Area:76.6
Heavy Atom Count:25
Complexity:541
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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