B-PABA
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B-PABA
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CAS No:
6929-40-4
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Formula:
C17H21N3O4S
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Chemical Name:
B-PABA
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Synonyms:
B-PABA;N-(+)-BIOTINYL-4-AMINOBENZOIC ACID;Benzoic acid, 4-((5-(hexahydro-2-oxo-1H-thieno(3,4-D)imidazol-4-yl)-1-oxopentyl)amino)-, ion(1-)-;Biot-pab;N-(+)-Biotinyl-4-AMinobnzoic Acid;4-(5-((4S)-2-oxohexahydro-1H-thieno[3,4-d]iMidazol-4-yl)pentanaMido)benzoic acid
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CAS No:
Computed Properties
Molecular Weight:363.4
XLogP3:1.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:363.12527733
Monoisotopic Mass:363.12527733
Topological Polar Surface Area:133
Heavy Atom Count:25
Complexity:522
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
