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Substance Name: Angelic acid
RN: 565-63-9
UNII: 54U4ZPB36F
InChIKey: UIERETOOQGIECD-ARJAWSKDSA-N

Molecular Formula

  • C5-H8-O2

Molecular Weight

  • 100.1162
 
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Names and Synonyms

Name of Substance

  • Angelic acid

Synonyms

  • Angelic acid
  • cis-2-Methyl-2-butenoic acid
  • EINECS 209-284-2
  • NSC 96885
  • UNII-54U4ZPB36F

Systematic Names

  • 2-Butenoic acid, 2-methyl-, (Z)-
  • 2-Methylisocrotonic acid
  • Crotonic acid, 2-methyl-, (Z)-

Registry Numbers

CAS Registry Number

  • 565-63-9

FDA UNII

  • 54U4ZPB36F

System Generated Number

  • 0000565639

Structure Descriptors

InChI

InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3-

InChIKey

UIERETOOQGIECD-ARJAWSKDSA-N

Smiles

C\C=C(\C)/C(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 45.5 deg C   EXP
Boiling Point 185 deg C   EXP
log P (octanol-water) 1.400 (none)   EST
Atmospheric OH Rate Constant 3.12E-11 cm3/molecule-sec 25 EST

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