4-[nitroso-[(3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzoic acid
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![4-[nitroso-[(3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/12cede045a7b46b7b69aabe8c23d28c1.png "4-[nitroso-[(3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzoic acid")
4-[nitroso-[(3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzoic acid
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CAS No:
111858-64-1
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Formula:
C12H14N2O7
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Chemical Name:
4-[nitroso-[(3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzoic acid
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Synonyms:
N-Nitroso-N-p-carboxyphenyl-D-arabinosylamine;111858-64-1;CCRIS 3636;p-(N-Nitroso-D-arabinopyranosylamino)benzoic acid;Benzoic acid, p-(N-nitroso-D-arabinopyranosylamino)-;Benzoic acid, 4-(D-arabinopyranosylnitrosoamino)- (9CI)
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CAS No:
4-[nitroso-[(3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzoic acid Basic Attributes
298.25 g/mol
298.08010079 g/mol
Computed Properties
Molecular Weight:298.25
XLogP3:-0.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:298.08010079
Monoisotopic Mass:298.08010079
Topological Polar Surface Area:140
Heavy Atom Count:21
Complexity:386
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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