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504-88-1

504-88-1 structural image
Product Name: 3-NITROPROPIONIC ACID
Formula: C3H5NO4
Synonyms: 3-Nitropropionic acid - CAS 504-88-1 - Calbiochem;3-Nitropropionic acid, 3-NP, 3-NPA, 3NPA
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 3-nitropropionic acid appears as golden crystals (from chloroform). (NTP, 1992)
Color/Form Crystals from chloroform
Melting Point 145 to 149 °F (NTP, 1992)
Solubility >17.9 [ug/mL] (The mean of the results at pH 7.4)
Decomposition When heated to decomposition it emits toxic fumes of /nitrogen oxides/.
Chemical Classes Biological Agents -> Mycotoxins

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H301:Acute toxicity,oral

COMPUTED DESCRIPTORS

Molecular Weight 119.08 g/mol
XLogP3 -0.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 119.02185764 g/mol
Monoisotopic Mass 119.02185764 g/mol
Topological Polar Surface Area 83.1 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 104
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
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

3-nitropropionic acid appears as golden crystals (from chloroform). (NTP, 1992)