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Substance Name: 2-Butenoic acid, 3-chloro-, (E)-
RN: 6214-28-4
InChIKey: XBOTUWGQYMHUFO-NSCUHMNNSA-N

Molecular Formula

  • C4-H5-Cl-O2

Molecular Weight

  • 120.535
 
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Names and Synonyms

Synonym

  • (E)-3-Chloro-2-butenoic acid

Systematic Name

  • 2-Butenoic acid, 3-chloro-, (E)-

Registry Numbers

CAS Registry Number

  • 6214-28-4

System Generated Number

  • 0006214284

Structure Descriptors

InChI

1S/C4H5ClO2/c1-3(5)2-4(6)7/h2H,1H3,(H,6,7)/b3-2+

InChIKey

XBOTUWGQYMHUFO-NSCUHMNNSA-N

Smiles

C(\C(=O)O)=C(\Cl)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 61 deg C   EXP
Boiling Point 195 deg C   EXP
log P (octanol-water) 1.350 (none)   EST
Water Solubility 2.99E+04 mg/L 19 EXP
Atmospheric OH Rate Constant 7.04E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.