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38127-17-2

38127-17-2 structural image
Product Name: (5S,6S)-6-AMINO-5-HYDROXYCYCLOHEXA-1,3-DIENECARBOXYLIC ACID
Formula: C7H9NO3
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 155.15 g/mol
XLogP3 -2.8
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 155.058243149 g/mol
Monoisotopic Mass 155.058243149 g/mol
Topological Polar Surface Area 83.6 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 232
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

(2S,3S)-2,3-dihydro-3-hydroxyanthranilic acid is a 2,3-dihydro-3-hydroxyanthranilic acid in which both stereocentres have S-configuration. It is an enantiomer of a (2R,3R)-2,3-dihydro-3-hydroxyanthranilic acid. It is a tautomer of a (2S,3S)-2,3-dihydro-3-hydroxyanthranilic acid zwitterion.