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Home> Hot Product Listed 2   > 2-Oxazolidinone,3-(1-hydroxyethenyl)-4-(1-methylethyl)-, (4S)-
97-67-6 structure

2-Oxazolidinone,3-(1-hydroxyethenyl)-4-(1-methylethyl)-, (4S)-

Iupac Name:(2S)-2-hydroxybutanedioic acid
CAS No.:97-67-6
Molecular Weight:134.09
Molecular Formula:C7H13N3 (isomer)
Names and Identifiers
Synonyms

2-Oxazolidinone,3-(1-hydroxyethenyl)-4-(1-methylethyl)-, (S)- (9CI)

Inchi
InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChkey
BJEPYKJPYRNKOW-REOHCLBHSA-N
Canonical Smiles
C(C(C(=O)O)O)C(=O)O
Properties
Melting Point
101-103 °C(lit.)
Refractive Index
-6.5 ° (C=10, Acetone)
Alpha
-2 o (C=8.5, H2O)
HS Code
29181980
Safety and Handling
Risk Statements
36/37/38
Safety Statements
26-36-37/39
Hazard Note
H315; H319; H335
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:134.09g/mol
  • Molecular Formula:C7H13N3
  • Compound Is Canonicalized:True
  • XLogP3-AA:_1.3
  • Exact Mass:134.022
  • Monoisotopic Mass:134.022
  • Complexity:129
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:94.8A^2
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBgOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAIACAAAAgAI AACQCAIAAAAAAAAAAAFAAAABEBQAAAAAQAAFIAABAABDAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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