Coenzyme A, S-[2-(3-carboxy-1-oxopropyl)benzoate]
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![Coenzyme A, S-[2-(3-carboxy-1-oxopropyl)benzoate] structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/52351289a58f49b8ab58f9351fa20979.png "Coenzyme A, S-[2-(3-carboxy-1-oxopropyl)benzoate]")
Coenzyme A, S-[2-(3-carboxy-1-oxopropyl)benzoate]
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CAS No:
72471-59-1
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Formula:
C32H44N7O20P3S
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Chemical Name:
Coenzyme A, S-[2-(3-carboxy-1-oxopropyl)benzoate]
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Synonyms:
Coenzyme A,S-[2-(3-carboxy-1-oxopropyl)benzoate]
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CAS No:
Computed Properties
Molecular Weight:971.7
XLogP3:-4.9
Hydrogen Bond Donor Count:10
Hydrogen Bond Acceptor Count:25
Rotatable Bond Count:25
Exact Mass:971.15746899
Monoisotopic Mass:971.15746899
Topological Polar Surface Area:443
Heavy Atom Count:63
Complexity:1780
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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