(βS)-β-Amino-1,3-benzodioxole-5-propanoic acid
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(βS)-β-Amino-1,3-benzodioxole-5-propanoic acid
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CAS No:
723284-83-1
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Formula:
C10H11NO4
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Chemical Name:
(βS)-β-Amino-1,3-benzodioxole-5-propanoic acid
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Synonyms:
1,3-Benzodioxole-5-propanoic acid,β-amino-,(βS)-;(βS)-β-Amino-1,3-benzodioxole-5-propanoic acid;(3S)-3-Amino-3-(2H-1,3-benzodioxol-5-yl)propanoic acid;(3S)-3-Amino-3-(1,3-dioxaindan-5-yl)propanoic acid;(S)-3-Amino-3-benzo[1,3]dioxol-5-ylpropionic acid
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CAS No:
(βS)-β-Amino-1,3-benzodioxole-5-propanoic acid Basic Attributes
209.19900
209.20
DTXSID50353311
2932999099
Characteristics
81.78000
1.59010
1.404g/cm3
231-234 °C @ Solvent: Water, Acetone
381.9ºC at 760 mmHg
184.8ºC
1.61
Computed Properties
Molecular Weight:209.20
XLogP3:-2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:209.06880783
Monoisotopic Mass:209.06880783
Topological Polar Surface Area:81.8
Heavy Atom Count:15
Complexity:246
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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